CID 3061979

2-chloro-3-(4-fluorobenzoyl)pyridine

Structural Information

Molecular Formula

C₁₂H₇ClFNO

SMILES

C1=CC(=C(N=C1)Cl)C(=O)C2=CC=C(C=C2)F

InChI

InChI=1S/C12H7ClFNO/c13-12-10(2-1-7-15-12)11(16)8-3-5-9(14)6-4-8/h1-7H

InChIKey

LTSMOZOQWSATMZ-UHFFFAOYSA-N

Compound name

(2-chloropyridin-3-yl)-(4-fluorophenyl)methanone

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 10
Patents: 235.02002 Da
Monoisotopic Mass: 3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	236.02730	145.1
[M+Na]+	258.00924	155.4
[M-H]-	234.01274	149.5
[M+NH4]+	253.05384	162.4
[M+K]+	273.98318	149.9
[M+H-H2O]+	218.01728	137.2
[M+HCOO]-	280.01822	162.6
[M+CH3COO]-	294.03387	189.4
[M+Na-2H]-	255.99469	150.8
[M]+	235.01947	146.0
[M]-	235.02057	146.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe