CID 3725514

104095-22-9

Structural Information

Molecular Formula
C12H11ClN2O3S
SMILES
C1=CC=C(C(=C1)NS(=O)(=O)C2=CC(=C(C=C2)O)N)Cl
InChI
InChI=1S/C12H11ClN2O3S/c13-9-3-1-2-4-11(9)15-19(17,18)8-5-6-12(16)10(14)7-8/h1-7,15-16H,14H2
InChIKey
NFHCNVOHBVCEMH-UHFFFAOYSA-N
Compound name
3-amino-N-(2-chlorophenyl)-4-hydroxybenzenesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

298.01788 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 299.02516 161.7
[M+Na]+ 321.00710 171.0
[M-H]- 297.01060 167.5
[M+NH4]+ 316.05170 176.9
[M+K]+ 336.98104 164.5
[M+H-H2O]+ 281.01514 155.9
[M+HCOO]- 343.01608 176.2
[M+CH3COO]- 357.03173 199.2
[M+Na-2H]- 318.99255 165.9
[M]+ 298.01733 163.7
[M]- 298.01843 163.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.