CID 1515240

4-pyridin-2-ylbenzaldehyde

Structural Information

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

2D Structure

compound 2d structure
2
Annotation Hits

9
References

1073
Patents

183.06842 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 184.07570 136.9
[M+Na]+ 206.05764 145.7
[M-H]- 182.06114 142.5
[M+NH4]+ 201.10224 155.2
[M+K]+ 222.03158 142.0
[M+H-H2O]+ 166.06568 129.2
[M+HCOO]- 228.06662 161.1
[M+CH3COO]- 242.08227 181.0
[M+Na-2H]- 204.04309 145.5
[M]+ 183.06787 136.9
[M]- 183.06897 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

literature stripe

Patent stripe

patents stripe