CID 21217817

3-phenylpyridine-4-carbaldehyde

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

11
Patents

183.06842 Da
Monoisotopic Mass

1.9
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

No literature data available for this compound.

Patent stripe

patents stripe