CID 2795563

208190-04-9

Structural Information

Molecular Formula
C12H9NO
SMILES
C1=CC(=CC(=C1)C2=CC=NC=C2)C=O
InChI
InChI=1S/C12H9NO/c14-9-10-2-1-3-12(8-10)11-4-6-13-7-5-11/h1-9H
InChIKey
ANVUAAJNQXEBNM-UHFFFAOYSA-N
Compound name
3-pyridin-4-ylbenzaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

146
Patents

183.06842 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 184.075696 136.9
[M+Na]+ 206.057638 145.7
[M-H]- 182.061144 142.5
[M+NH4]+ 201.102243 155.2
[M+K]+ 222.031578 142.0
[M+H-H2O]+ 166.065680 129.2
[M+HCOO]- 228.066621 161.1
[M+CH3COO]- 242.082271 181.0
[M+Na-2H]- 204.043086 145.5
[M]+ 183.06787142 136.9
[M]- 183.06896858 136.9
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