CID 7398

4-chlorobenzenesulfonyl chloride

Structural Information

Molecular Formula
C6H4Cl2O2S
SMILES
C1=CC(=CC=C1S(=O)(=O)Cl)Cl
InChI
InChI=1S/C6H4Cl2O2S/c7-5-1-3-6(4-2-5)11(8,9)10/h1-4H
InChIKey
ZLYBFBAHAQEEQQ-UHFFFAOYSA-N
Compound name
4-chlorobenzenesulfonyl chloride
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

20
References

7913
Patents

209.93091 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 210.938186 134.0
[M+Na]+ 232.920128 145.4
[M-H]- 208.923634 138.4
[M+NH4]+ 227.964733 154.9
[M+K]+ 248.894068 140.4
[M+H-H2O]+ 192.928170 131.2
[M+HCOO]- 254.929111 143.9
[M+CH3COO]- 268.944761 178.7
[M+Na-2H]- 230.905576 139.2
[M]+ 209.93036142 139.0
[M]- 209.93145858 139.0
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