CID 2939611

2-hydroxy-5-(3-nitrobenzenesulfonamido)benzoic acid

Structural Information

Molecular Formula
C13H10N2O7S
SMILES
C1=CC(=CC(=C1)S(=O)(=O)NC2=CC(=C(C=C2)O)C(=O)O)[N+](=O)[O-]
InChI
InChI=1S/C13H10N2O7S/c16-12-5-4-8(6-11(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
VBKASXGVBZDKSY-UHFFFAOYSA-N
Compound name
2-hydroxy-5-[(3-nitrophenyl)sulfonylamino]benzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

338.02087 Da
Monoisotopic Mass

2.9
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

No literature data available for this compound.

Patent stripe

No patent data available for this compound.