CID 53401428

1250404-82-0

Structural Information

Molecular Formula

C₇H₅Cl₂FO₂S

SMILES

C1=CC(=C(C=C1CS(=O)(=O)Cl)F)Cl

InChI

InChI=1S/C7H5Cl2FO2S/c8-6-2-1-5(3-7(6)10)4-13(9,11)12/h1-3H,4H2

InChIKey

RIEHUQCOCRZIMY-UHFFFAOYSA-N

Compound name

(4-chloro-3-fluorophenyl)methanesulfonyl chloride

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 3
Patents: 241.93713 Da
Monoisotopic Mass: 2.6
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]+	242.94441	144.6
[M+Na]+	264.92635	157.8
[M+NH4]+	259.97095	152.8
[M+K]+	280.90029	149.3
[M-H]-	240.92985	144.4
[M+Na-2H]-	262.91180	150.3
[M]+	241.93658	147.4
[M]-	241.93768	147.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe