CID 11040973

4-chlorobenzoyl fluoride

Structural Information

Molecular Formula

SMILES

C1=CC(=CC=C1C(=O)F)Cl

InChI

InChI=1S/C7H4ClFO/c8-6-3-1-5(2-4-6)7(9)10/h1-4H

InChIKey

XUPDMYDJDICHJJ-UHFFFAOYSA-N

Compound name

4-chlorobenzoyl fluoride

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 45
Patents: 157.99347 Da
Monoisotopic Mass: 3.1
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]+	159.00075	125.5
[M+Na]+	180.98269	139.2
[M+NH4]+	176.02729	134.5
[M+K]+	196.95663	132.4
[M-H]-	156.98619	126.5
[M+Na-2H]-	178.96814	133.1
[M]+	157.99292	128.0
[M]-	157.99402	128.0

Literature stripe

literature stripe

Patent stripe

patents stripe