CID 1519480

3-(6-formylpyridin-2-yl)benzonitrile

Structural Information

Molecular Formula
C13H8N2O
SMILES
C1=CC(=CC(=C1)C2=CC=CC(=N2)C=O)C#N
InChI
InChI=1S/C13H8N2O/c14-8-10-3-1-4-11(7-10)13-6-2-5-12(9-16)15-13/h1-7,9H
InChIKey
SBBBRGAVNLQEHG-UHFFFAOYSA-N
Compound name
3-(6-formylpyridin-2-yl)benzonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

7
Patents

208.06366 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 209.07094 146.9
[M+Na]+ 231.05288 158.1
[M-H]- 207.05638 151.1
[M+NH4]+ 226.09748 162.3
[M+K]+ 247.02682 152.5
[M+H-H2O]+ 191.06092 132.5
[M+HCOO]- 253.06186 166.8
[M+CH3COO]- 267.07751 198.0
[M+Na-2H]- 229.03833 153.1
[M]+ 208.06311 142.1
[M]- 208.06421 142.1
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

patents stripe