CID 86695609

2-chloro-5-(pyridin-2-yl)benzaldehyde

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

8
Patents

217.02943 Da
Monoisotopic Mass

2.6
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

No literature data available for this compound.

Patent stripe

patents stripe