CID 78934

2-hydroxy-3-nitrobenzaldehyde

Structural Information

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

2D Structure

compound 2d structure
2
Annotation Hits

2
References

1113
Patents

167.02185 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 168.029126 128.4
[M+Na]+ 190.011068 137.1
[M-H]- 166.014574 131.6
[M+NH4]+ 185.055673 147.7
[M+K]+ 205.985008 131.5
[M+H-H2O]+ 150.019110 127.9
[M+HCOO]- 212.020051 154.0
[M+CH3COO]- 226.035701 169.0
[M+Na-2H]- 187.996516 136.8
[M]+ 167.02130142 127.6
[M]- 167.02239858 127.6
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