CID 67999

Benzoyl fluoride

Structural Information

Molecular Formula

SMILES

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

InChI

InChI=1S/C7H5FO/c8-7(9)6-4-2-1-3-5-6/h1-5H

InChIKey

HPMLGNIUXVXALD-UHFFFAOYSA-N

Compound name

benzoyl fluoride

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 8
References: 1666
Patents: 124.03244 Da
Monoisotopic Mass: 2.3
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]+	125.039716	119.1
[M+Na]+	147.021658	127.4
[M-H]-	123.025164	121.8
[M+NH4]+	142.066263	141.2
[M+K]+	162.995598	126.1
[M+H-H2O]+	107.029700	113.1
[M+HCOO]-	169.030641	142.8
[M+CH3COO]-	183.046291	170.0
[M+Na-2H]-	145.007106	126.8
[M]+	124.03189142	117.3
[M]-	124.03298858	117.3

Literature stripe

literature stripe

Patent stripe

patents stripe