CID 77790

2-amino-4-chlorobenzenesulphonamide

Structural Information

Molecular Formula
C6H7ClN2O2S
SMILES
C1=CC(=C(C=C1Cl)N)S(=O)(=O)N
InChI
InChI=1S/C6H7ClN2O2S/c7-4-1-2-6(5(8)3-4)12(9,10)11/h1-3H,8H2,(H2,9,10,11)
InChIKey
HWQDHHCUOZZFIG-UHFFFAOYSA-N
Compound name
2-amino-4-chlorobenzenesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

100
Patents

205.99167 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 206.99895 138.1
[M+Na]+ 228.98089 148.2
[M-H]- 204.98439 141.8
[M+NH4]+ 224.02549 157.6
[M+K]+ 244.95483 143.3
[M+H-H2O]+ 188.98893 133.7
[M+HCOO]- 250.98987 153.5
[M+CH3COO]- 265.00552 183.6
[M+Na-2H]- 226.96634 142.0
[M]+ 205.99112 139.0
[M]- 205.99222 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