CID 519377

3-chlorobenzenesulfonamide

Structural Information

Molecular Formula
C6H6ClNO2S
SMILES
C1=CC(=CC(=C1)Cl)S(=O)(=O)N
InChI
InChI=1S/C6H6ClNO2S/c7-5-2-1-3-6(4-5)11(8,9)10/h1-4H,(H2,8,9,10)
InChIKey
WSYQJNPRQUFCGL-UHFFFAOYSA-N
Compound name
3-chlorobenzenesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

579
Patents

190.98077 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 191.98805 133.6
[M+Na]+ 213.96999 143.9
[M-H]- 189.97349 137.8
[M+NH4]+ 209.01459 154.2
[M+K]+ 229.94393 139.5
[M+H-H2O]+ 173.97803 129.5
[M+HCOO]- 235.97897 148.9
[M+CH3COO]- 249.99462 177.9
[M+Na-2H]- 211.95544 138.8
[M]+ 190.98022 136.0
[M]- 190.98132 136.0
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