CID 3232568

2-chloro-5-phenylpyridine-3-carboxaldehyde

Structural Information

Molecular Formula
C12H8ClNO
SMILES
C1=CC=C(C=C1)C2=CC(=C(N=C2)Cl)C=O
InChI
InChI=1S/C12H8ClNO/c13-12-11(8-15)6-10(7-14-12)9-4-2-1-3-5-9/h1-8H
InChIKey
QBFNWWRKCSBZHD-UHFFFAOYSA-N
Compound name
2-chloro-5-phenylpyridine-3-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

31
Patents

217.02943 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 218.03671 143.0
[M+Na]+ 240.01865 153.5
[M-H]- 216.02215 148.7
[M+NH4]+ 235.06325 161.1
[M+K]+ 255.99259 148.0
[M+H-H2O]+ 200.02669 136.0
[M+HCOO]- 262.02763 162.5
[M+CH3COO]- 276.04328 185.9
[M+Na-2H]- 238.00410 150.3
[M]+ 217.02888 145.4
[M]- 217.02998 145.4
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