CID 80594

2-(4-chlorobenzoyl)pyridine

Structural Information

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

2D Structure

compound 2d structure
2
Annotation Hits

0
References

179
Patents

217.02943 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 218.03671 143.0
[M+Na]+ 240.01865 152.2
[M-H]- 216.02215 148.4
[M+NH4]+ 235.06325 160.7
[M+K]+ 255.99259 147.2
[M+H-H2O]+ 200.02669 135.9
[M+HCOO]- 262.02763 161.6
[M+CH3COO]- 276.04328 185.6
[M+Na-2H]- 238.00410 149.9
[M]+ 217.02888 144.5
[M]- 217.02998 144.5
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