CID 12075426

52583-70-7

Structural Information

Molecular Formula
C12H8N2O3
SMILES
C1=CC(=CC(=C1)[N+](=O)[O-])C2=CC=CC(=N2)C=O
InChI
InChI=1S/C12H8N2O3/c15-8-10-4-2-6-12(13-10)9-3-1-5-11(7-9)14(16)17/h1-8H
InChIKey
MEBRRQOWKWXTRB-UHFFFAOYSA-N
Compound name
6-(3-nitrophenyl)pyridine-2-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

228.0535 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 229.060776 146.9
[M+Na]+ 251.042718 154.8
[M-H]- 227.046224 152.8
[M+NH4]+ 246.087323 162.5
[M+K]+ 267.016658 147.5
[M+H-H2O]+ 211.050760 143.3
[M+HCOO]- 273.051701 172.1
[M+CH3COO]- 287.067351 183.5
[M+Na-2H]- 249.028166 155.8
[M]+ 228.05295142 146.0
[M]- 228.05404858 146.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.