CID 3828198

2-hydroxy-4-(3-nitrobenzenesulfonamido)benzoic acid

Structural Information

Molecular Formula
C13H10N2O7S
SMILES
C1=CC(=CC(=C1)S(=O)(=O)NC2=CC(=C(C=C2)C(=O)O)O)[N+](=O)[O-]
InChI
InChI=1S/C13H10N2O7S/c16-12-6-8(4-5-11(12)13(17)18)14-23(21,22)10-3-1-2-9(7-10)15(19)20/h1-7,14,16H,(H,17,18)
InChIKey
WSPXQWPMWCYBPS-UHFFFAOYSA-N
Compound name
2-hydroxy-4-[(3-nitrophenyl)sulfonylamino]benzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

7
Patents

338.02087 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 339.02815 167.1
[M+Na]+ 361.01009 172.3
[M-H]- 337.01359 171.4
[M+NH4]+ 356.05469 177.5
[M+K]+ 376.98403 164.4
[M+H-H2O]+ 321.01813 163.9
[M+HCOO]- 383.01907 184.1
[M+CH3COO]- 397.03472 196.6
[M+Na-2H]- 358.99554 173.5
[M]+ 338.02032 166.4
[M]- 338.02142 166.4
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