CID 3061979

80099-83-8

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-chloro-3-pyridinyl)-(4-fluorophenyl)methanone

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 8
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]+	236.027296	145.1
[M+Na]+	258.009238	155.4
[M-H]-	234.012744	149.5
[M+NH4]+	253.053843	162.4
[M+K]+	273.983178	149.9
[M+H-H2O]+	218.017280	137.2
[M+HCOO]-	280.018221	162.6
[M+CH3COO]-	294.033871	189.4
[M+Na-2H]-	255.994686	150.8
[M]+	235.01947142	146.0
[M]-	235.02056858	146.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe