CID 7383

3,4-dichlorobenzenesulfonyl chloride

Structural Information

Molecular Formula
C6H3Cl3O2S
SMILES
C1=CC(=C(C=C1S(=O)(=O)Cl)Cl)Cl
InChI
InChI=1S/C6H3Cl3O2S/c7-5-2-1-4(3-6(5)8)12(9,10)11/h1-3H
InChIKey
NYIBPWGZGSXURD-UHFFFAOYSA-N
Compound name
3,4-dichlorobenzenesulfonyl chloride
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

1
References

2342
Patents

243.89194 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 244.899216 139.7
[M+Na]+ 266.881158 151.5
[M-H]- 242.884664 143.3
[M+NH4]+ 261.925763 159.3
[M+K]+ 282.855098 145.8
[M+H-H2O]+ 226.889200 137.8
[M+HCOO]- 288.890141 144.2
[M+CH3COO]- 302.905791 185.4
[M+Na-2H]- 264.866606 143.2
[M]+ 243.89139142 144.8
[M]- 243.89248858 144.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe