CID 54400603

90196-19-3

Structural Information

Molecular Formula

C₇H₅Cl₃O₂S

SMILES

CC1=CC(=C(C(=C1)Cl)S(=O)(=O)Cl)Cl

InChI

InChI=1S/C7H5Cl3O2S/c1-4-2-5(8)7(6(9)3-4)13(10,11)12/h2-3H,1H3

InChIKey

VNDVBLUSKXZRLL-UHFFFAOYSA-N

Compound name

2,6-dichloro-4-methylbenzenesulfonyl chloride

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 11
Patents: 257.9076 Da
Monoisotopic Mass: 3.6
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]+	258.91488	153.1
[M+Na]+	280.89682	167.8
[M+NH4]+	275.94142	161.9
[M+K]+	296.87076	158.6
[M-H]-	256.90032	154.2
[M+Na-2H]-	278.88227	158.8
[M]+	257.90705	156.9
[M]-	257.90815	156.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe