CID 12404757

31910-66-4

Structural Information

Molecular Formula

C₇H₆Cl₂O₂S

SMILES

C1=CC=C(C(=C1)CCl)S(=O)(=O)Cl

InChI

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

InChIKey

YHZUBQWOGUKTNZ-UHFFFAOYSA-N

Compound name

2-(chloromethyl)benzenesulfonyl chloride

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 15
Patents: 223.94655 Da
Monoisotopic Mass: 2.3
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]+	224.95383	143.9
[M+Na]+	246.93577	157.9
[M+NH4]+	241.98037	152.9
[M+K]+	262.90971	148.9
[M-H]-	222.93927	145.2
[M+Na-2H]-	244.92122	150.5
[M]+	223.94600	147.4
[M]-	223.94710	147.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe