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

12
Patents

253.95712 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 254.96440 143.6
[M+Na]+ 276.94634 155.9
[M-H]- 252.94984 147.3
[M+NH4]+ 271.99094 162.8
[M+K]+ 292.92028 150.3
[M+H-H2O]+ 236.95438 141.4
[M+HCOO]- 298.95532 151.6
[M+CH3COO]- 312.97097 187.6
[M+Na-2H]- 274.93179 145.9
[M]+ 253.95657 150.1
[M]- 253.95767 150.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe