CID 18169

4-hydroxy-3-nitrobenzaldehyde

Structural Information

Molecular Formula
C7H5NO4
SMILES
C1=CC(=C(C=C1C=O)[N+](=O)[O-])O
InChI
InChI=1S/C7H5NO4/c9-4-5-1-2-7(10)6(3-5)8(11)12/h1-4,10H
InChIKey
YTHJCZRFJGXPTL-UHFFFAOYSA-N
Compound name
4-hydroxy-3-nitrobenzaldehyde
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

10
References

1909
Patents

167.02185 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 168.02913 128.4
[M+Na]+ 190.01107 137.1
[M-H]- 166.01457 131.6
[M+NH4]+ 185.05567 147.7
[M+K]+ 205.98501 131.5
[M+H-H2O]+ 150.01911 127.9
[M+HCOO]- 212.02005 154.0
[M+CH3COO]- 226.03570 169.0
[M+Na-2H]- 187.99652 136.8
[M]+ 167.02130 127.6
[M]- 167.02240 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