CID 18087

Clopidol

Structural Information

Molecular Formula

C₇H₇Cl₂NO

SMILES

CC1=C(C(=O)C(=C(N1)C)Cl)Cl

InChI

InChI=1S/C7H7Cl2NO/c1-3-5(8)7(11)6(9)4(2)10-3/h1-2H3,(H,10,11)

InChIKey

ZDPIZLCVJAAHHR-UHFFFAOYSA-N

Compound name

3,5-dichloro-2,6-dimethyl-1H-pyridin-4-one

Related CIDs

2D Structure

compound 2d structure

7
Annotation Hits: 92
References: 1338
Patents: 190.99046 Da
Monoisotopic Mass: 2.6
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]+	191.99774	131.3
[M+Na]+	213.97968	144.2
[M-H]-	189.98318	132.8
[M+NH4]+	209.02428	151.3
[M+K]+	229.95362	138.4
[M+H-H2O]+	173.98772	127.8
[M+HCOO]-	235.98866	144.4
[M+CH3COO]-	250.00431	179.8
[M+Na-2H]-	211.96513	136.2
[M]+	190.98991	134.2
[M]-	190.99101	134.2

Literature stripe

literature stripe

Patent stripe

patents stripe