CID 39211

5-hydroxy-2-nitrobenzaldehyde

Structural Information

Molecular Formula
C7H5NO4
SMILES
C1=CC(=C(C=C1O)C=O)[N+](=O)[O-]
InChI
InChI=1S/C7H5NO4/c9-4-5-3-6(10)1-2-7(5)8(11)12/h1-4,10H
InChIKey
XLYPHUGUKGMURE-UHFFFAOYSA-N
Compound name
5-hydroxy-2-nitrobenzaldehyde
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

4
References

1211
Patents

167.02185 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 168.02913 129.2
[M+Na]+ 190.01107 142.5
[M+NH4]+ 185.05567 136.8
[M+K]+ 205.98501 140.1
[M-H]- 166.01457 131.5
[M+Na-2H]- 187.99652 135.3
[M]+ 167.02130 131.5
[M]- 167.02240 131.5
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