CID 2757568

676348-45-1

Structural Information

Molecular Formula

C₈H₅Cl₂FO

SMILES

C1=CC(=C(C=C1F)Cl)CC(=O)Cl

InChI

InChI=1S/C8H5Cl2FO/c9-7-4-6(11)2-1-5(7)3-8(10)12/h1-2,4H,3H2

InChIKey

KRRSVTMKTCLBFZ-UHFFFAOYSA-N

Compound name

2-(2-chloro-4-fluorophenyl)acetyl chloride

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 36
Patents: 205.97015 Da
Monoisotopic Mass: 3.3
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]+	206.97743	133.3
[M+Na]+	228.95937	144.2
[M-H]-	204.96287	135.5
[M+NH4]+	224.00397	153.9
[M+K]+	244.93331	139.0
[M+H-H2O]+	188.96741	129.1
[M+HCOO]-	250.96835	147.0
[M+CH3COO]-	264.98400	183.9
[M+Na-2H]-	226.94482	137.9
[M]+	205.96960	135.7
[M]-	205.97070	135.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe