CID 532009

3-fluoro-n-(4-methoxyphenyl)benzamide

Structural Information

Molecular Formula

C₁₄H₁₂FNO₂

SMILES

COC1=CC=C(C=C1)NC(=O)C2=CC(=CC=C2)F

InChI

InChI=1S/C14H12FNO2/c1-18-13-7-5-12(6-8-13)16-14(17)10-3-2-4-11(15)9-10/h2-9H,1H3,(H,16,17)

InChIKey

QQHQVSLNPRAISI-UHFFFAOYSA-N

Compound name

3-fluoro-N-(4-methoxyphenyl)benzamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 3
References: 0
Patents: 245.0852 Da
Monoisotopic Mass: 2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	246.092476	152.4
[M+Na]+	268.074418	160.0
[M-H]-	244.077924	158.1
[M+NH4]+	263.119023	169.3
[M+K]+	284.048358	156.6
[M+H-H2O]+	228.082460	143.9
[M+HCOO]-	290.083401	176.4
[M+CH3COO]-	304.099051	195.3
[M+Na-2H]-	266.059866	157.5
[M]+	245.08465142	151.9
[M]-	245.08574858	151.9

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.