CID 2757801

(2-chlorophenyl)methanesulfonyl chloride

Structural Information

Molecular Formula

C₇H₆Cl₂O₂S

SMILES

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

InChI

InChI=1S/C7H6Cl2O2S/c8-7-4-2-1-3-6(7)5-12(9,10)11/h1-4H,5H2

InChIKey

CHPZYFXSICSCNY-UHFFFAOYSA-N

Compound name

(2-chlorophenyl)methanesulfonyl chloride

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 292
Patents: 223.94655 Da
Monoisotopic Mass: 2.5
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]+	224.95383	138.5
[M+Na]+	246.93577	149.5
[M-H]-	222.93927	142.8
[M+NH4]+	241.98037	158.9
[M+K]+	262.90971	144.2
[M+H-H2O]+	206.94381	135.5
[M+HCOO]-	268.94475	148.2
[M+CH3COO]-	282.96040	181.6
[M+Na-2H]-	244.92122	143.3
[M]+	223.94600	143.9
[M]-	223.94710	143.9

Literature stripe

literature stripe

Patent stripe

patents stripe