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
1
Annotation Hits

0
References

171
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 144.1
[M+Na]+ 240.01865 160.8
[M+NH4]+ 235.06325 153.7
[M+K]+ 255.99259 152.3
[M-H]- 216.02215 148.7
[M+Na-2H]- 238.00410 155.0
[M]+ 217.02888 148.3
[M]- 217.02998 148.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

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