CID 17909

3-chlorobenzenesulfonyl chloride

Structural Information

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

2D Structure

compound 2d structure
2
Annotation Hits

0
References

2676
Patents

209.93091 Da
Monoisotopic Mass

2.7
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