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

1
Patents

198.02766 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 199.034936 134.2
[M+Na]+ 221.016878 141.9
[M-H]- 197.020384 135.7
[M+NH4]+ 216.061483 150.8
[M+K]+ 236.990818 136.0
[M+H-H2O]+ 181.024920 133.3
[M+HCOO]- 243.025861 157.7
[M+CH3COO]- 257.041511 174.9
[M+Na-2H]- 219.002326 139.8
[M]+ 198.02711142 130.7
[M]- 198.02820858 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

patents stripe