CID 16788466

953905-50-5

Structural Information

Molecular Formula
C8H8Cl2O2S
SMILES
CC1=CC(=C(C(=C1)Cl)S(=O)(=O)Cl)C
InChI
InChI=1S/C8H8Cl2O2S/c1-5-3-6(2)8(7(9)4-5)13(10,11)12/h3-4H,1-2H3
InChIKey
ZOHLKWRRGNAXKB-UHFFFAOYSA-N
Compound name
2-chloro-4,6-dimethylbenzenesulfonyl chloride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

237.9622 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 238.96948 141.3
[M+Na]+ 260.95142 153.5
[M-H]- 236.95492 146.1
[M+NH4]+ 255.99602 161.7
[M+K]+ 276.92536 148.1
[M+H-H2O]+ 220.95946 138.6
[M+HCOO]- 282.96040 150.6
[M+CH3COO]- 296.97605 186.9
[M+Na-2H]- 258.93687 144.4
[M]+ 237.96165 147.8
[M]- 237.96275 147.8
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

No patent data available for this compound.