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]+ 229.06078 146.9
[M+Na]+ 251.04272 154.8
[M-H]- 227.04622 152.8
[M+NH4]+ 246.08732 162.5
[M+K]+ 267.01666 147.5
[M+H-H2O]+ 211.05076 143.3
[M+HCOO]- 273.05170 172.1
[M+CH3COO]- 287.06735 183.5
[M+Na-2H]- 249.02817 155.8
[M]+ 228.05295 146.0
[M]- 228.05405 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.