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 134.2
[M+Na]+ 221.01688 141.9
[M-H]- 197.02038 135.7
[M+NH4]+ 216.06148 150.8
[M+K]+ 236.99082 136.0
[M+H-H2O]+ 181.02492 133.3
[M+HCOO]- 243.02586 157.7
[M+CH3COO]- 257.04151 174.9
[M+Na-2H]- 219.00233 139.8
[M]+ 198.02711 130.7
[M]- 198.02821 130.7
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.