CID 10797730

2-chloro-1-(6-chloropyridin-3-yl)ethanone

Structural Information

Molecular Formula

C₇H₅Cl₂NO

SMILES

C1=CC(=NC=C1C(=O)CCl)Cl

InChI

InChI=1S/C7H5Cl2NO/c8-3-6(11)5-1-2-7(9)10-4-5/h1-2,4H,3H2

InChIKey

PALWQAXUGVUEIR-UHFFFAOYSA-N

Compound name

2-chloro-1-(6-chloro-3-pyridinyl)ethanone

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 43
Patents: 188.97482 Da
Monoisotopic Mass: 2.1
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]+	189.982096	131.4
[M+Na]+	211.964038	141.6
[M-H]-	187.967544	133.2
[M+NH4]+	207.008643	151.0
[M+K]+	227.937978	137.1
[M+H-H2O]+	171.972080	126.7
[M+HCOO]-	233.973021	145.0
[M+CH3COO]-	247.988671	179.7
[M+Na-2H]-	209.949486	137.7
[M]+	188.97427142	134.4
[M]-	188.97536858	134.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe