CID 11882

5-hydroxy-2-nitrobenzoic acid

Structural Information

Molecular Formula
C7H5NO5
SMILES
C1=CC(=C(C=C1O)C(=O)O)[N+](=O)[O-]
InChI
InChI=1S/C7H5NO5/c9-4-1-2-6(8(12)13)5(3-4)7(10)11/h1-3,9H,(H,10,11)
InChIKey
BUHKQTKKZAXSMH-UHFFFAOYSA-N
Compound name
5-hydroxy-2-nitrobenzoic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

368
Patents

183.01677 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 184.02405 131.0
[M+Na]+ 206.00599 138.8
[M-H]- 182.00949 132.8
[M+NH4]+ 201.05059 148.7
[M+K]+ 221.97993 133.3
[M+H-H2O]+ 166.01403 130.5
[M+HCOO]- 228.01497 154.3
[M+CH3COO]- 242.03062 169.3
[M+Na-2H]- 203.99144 137.9
[M]+ 183.01622 129.0
[M]- 183.01732 129.0
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