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: 121
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	148.5
[M+Na]+	255.02956	164.0
[M+NH4]+	250.07416	157.4
[M+K]+	271.00350	156.3
[M-H]-	231.03306	153.2
[M+Na-2H]-	253.01501	158.3
[M]+	232.03979	152.4
[M]-	232.04089	152.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe