CID 12325176

2-hydroxy-5-nitrobenzamide

Structural Information

Molecular Formula
C7H6N2O4
SMILES
C1=CC(=C(C=C1[N+](=O)[O-])C(=O)N)O
InChI
InChI=1S/C7H6N2O4/c8-7(11)5-3-4(9(12)13)1-2-6(5)10/h1-3,10H,(H2,8,11)
InChIKey
SVIKHLOGVRDSGQ-UHFFFAOYSA-N
Compound name
2-hydroxy-5-nitrobenzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

55
Patents

182.03276 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 183.040036 131.8
[M+Na]+ 205.021978 139.2
[M-H]- 181.025484 134.4
[M+NH4]+ 200.066583 149.7
[M+K]+ 220.995918 133.6
[M+H-H2O]+ 165.030020 130.8
[M+HCOO]- 227.030961 156.7
[M+CH3COO]- 241.046611 174.0
[M+Na-2H]- 203.007426 138.4
[M]+ 182.03221142 128.5
[M]- 182.03330858 128.5
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