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

1408
Patents

190.99046 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[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
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.