CID 2773601

4-chloro-2-fluorobenzoyl chloride

Structural Information

Molecular Formula

C₇H₃Cl₂FO

SMILES

C1=CC(=C(C=C1Cl)F)C(=O)Cl

InChI

InChI=1S/C7H3Cl2FO/c8-4-1-2-5(7(9)11)6(10)3-4/h1-3H

InChIKey

PWHFJLCMUCFYRQ-UHFFFAOYSA-N

Compound name

4-chloro-2-fluorobenzoyl chloride

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 356
Patents: 191.9545 Da
Monoisotopic Mass: 3.2
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]+	192.961776	128.5
[M+Na]+	214.943718	139.9
[M-H]-	190.947224	130.9
[M+NH4]+	209.988323	149.7
[M+K]+	230.917658	134.9
[M+H-H2O]+	174.951760	124.6
[M+HCOO]-	236.952701	142.5
[M+CH3COO]-	250.968351	180.9
[M+Na-2H]-	212.929166	133.7
[M]+	191.95395142	130.6
[M]-	191.95504858	130.6

Literature stripe

literature stripe

Patent stripe

patents stripe