CID 116929

Benzoic acid, 2-amino-6-hydroxy-4-nitro-

Structural Information

Molecular Formula
C7H6N2O5
SMILES
C1=C(C=C(C(=C1N)C(=O)O)O)[N+](=O)[O-]
InChI
InChI=1S/C7H6N2O5/c8-4-1-3(9(13)14)2-5(10)6(4)7(11)12/h1-2,10H,8H2,(H,11,12)
InChIKey
GCRDMLNPZBHKGD-UHFFFAOYSA-N
Compound name
2-amino-6-hydroxy-4-nitrobenzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

198.02766 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 199.03494 136.2
[M+Na]+ 221.01688 146.8
[M+NH4]+ 216.06148 141.9
[M+K]+ 236.99082 146.9
[M-H]- 197.02038 137.2
[M+Na-2H]- 219.00233 139.7
[M]+ 198.02711 137.4
[M]- 198.02821 137.4
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.