CID 132353720

2138044-63-8

Structural Information

Molecular Formula

C₈H₈Cl₂O₃S

SMILES

CC1=CC(=C(C(=C1O)C)S(=O)(=O)Cl)Cl

InChI

InChI=1S/C8H8Cl2O3S/c1-4-3-6(9)8(14(10,12)13)5(2)7(4)11/h3,11H,1-2H3

InChIKey

BKUGTRSAJSMFSC-UHFFFAOYSA-N

Compound name

6-chloro-3-hydroxy-2,4-dimethylbenzenesulfonyl chloride

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 8
Patents: 253.95712 Da
Monoisotopic Mass: 2.9
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]+	254.964396	143.6
[M+Na]+	276.946338	155.9
[M-H]-	252.949844	147.3
[M+NH4]+	271.990943	162.8
[M+K]+	292.920278	150.3
[M+H-H2O]+	236.954380	141.4
[M+HCOO]-	298.955321	151.6
[M+CH3COO]-	312.970971	187.6
[M+Na-2H]-	274.931786	145.9
[M]+	253.95657142	150.1
[M]-	253.95766858	150.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe