Metabolite Flunarizine metabolite M3

Name

Flunarizine metabolite M3

Description

Not Available

Structure

Similar Structures

Synonyms

Not Available

UNII

88BNC11B9C

CAS number

Not Available

Weight

Average: 218.1988
Monoisotopic: 218.054321288

Chemical Formula

C₁₃H₈F₂O

InChI Key

LSQARZALBDFYQZ-UHFFFAOYSA-N

InChI

InChI=1S/C13H8F2O/c14-11-5-1-9(2-6-11)13(16)10-3-7-12(15)8-4-10/h1-8H

IUPAC Name

bis(4-fluorophenyl)methanone

SMILES

FC1=CC=C(C=C1)C(=O)C1=CC=C(F)C=C1

Reactions

Spectra

Spectrum	Spectrum Type	Splash Key
Predicted GC-MS Spectrum - GC-MS	Predicted GC-MS	splash10-00xr-7940000000-18ef3452b5c9d324b673
Predicted MS/MS Spectrum - 10V, Positive (Annotated)	Predicted LC-MS/MS	splash10-014i-0090000000-db43d5e748e505bf546e
Predicted MS/MS Spectrum - 10V, Negative (Annotated)	Predicted LC-MS/MS	splash10-014i-0090000000-5d643d4c98ed18184423
Predicted MS/MS Spectrum - 20V, Positive (Annotated)	Predicted LC-MS/MS	splash10-01b9-0890000000-e882db4488b2f0139a3a
Predicted MS/MS Spectrum - 20V, Negative (Annotated)	Predicted LC-MS/MS	splash10-014j-8090000000-db78307e9570abe17233
Predicted MS/MS Spectrum - 40V, Negative (Annotated)	Predicted LC-MS/MS	splash10-0002-0900000000-87718c5790b2de6b884e
Predicted MS/MS Spectrum - 40V, Positive (Annotated)	Predicted LC-MS/MS	splash10-00di-3900000000-fcb1d76351db16f98d96

Chromatographic Properties

Adduct	CCS Value (Å²)	Source type	Source
[M-H]-	152.20113	predicted	DeepCCS 1.0 (2019)
[M+H]+	154.5967	predicted	DeepCCS 1.0 (2019)
[M+Na]+	160.59846	predicted	DeepCCS 1.0 (2019)

External Links

Predicted Properties