CID 10214538

105192-42-5

Structural Information

Molecular Formula

C₁₂H₉ClN₂O

SMILES

C1=CC(=C(C=C1Cl)C(=O)C2=CC=NC=C2)N

InChI

InChI=1S/C12H9ClN2O/c13-9-1-2-11(14)10(7-9)12(16)8-3-5-15-6-4-8/h1-7H,14H2

InChIKey

FPRZFKUEVICJMQ-UHFFFAOYSA-N

Compound name

(2-amino-5-chlorophenyl)-pyridin-4-ylmethanone

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 122
Patents: 232.04034 Da
Monoisotopic Mass: 2.7
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]+	233.04762	148.3
[M+Na]+	255.02956	157.6
[M-H]-	231.03306	153.5
[M+NH4]+	250.07416	165.1
[M+K]+	271.00350	152.2
[M+H-H2O]+	215.03760	141.2
[M+HCOO]-	277.03854	167.3
[M+CH3COO]-	291.05419	190.9
[M+Na-2H]-	253.01501	153.8
[M]+	232.03979	148.6
[M]-	232.04089	148.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe