CID 140201

6-chloro-1-methylpyridin-2(1h)-one

Structural Information

Molecular Formula
C6H6ClNO
SMILES
CN1C(=O)C=CC=C1Cl
InChI
InChI=1S/C6H6ClNO/c1-8-5(7)3-2-4-6(8)9/h2-4H,1H3
InChIKey
WTMIJNWKTCXRBK-UHFFFAOYSA-N
Compound name
6-chloro-1-methylpyridin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

67
Patents

143.0138 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 144.021076 121.1
[M+Na]+ 166.003018 132.8
[M-H]- 142.006524 124.2
[M+NH4]+ 161.047623 142.8
[M+K]+ 181.976958 129.6
[M+H-H2O]+ 126.011060 116.4
[M+HCOO]- 188.012001 141.2
[M+CH3COO]- 202.027651 172.2
[M+Na-2H]- 163.988466 129.3
[M]+ 143.01325142 123.9
[M]- 143.01434858 123.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe