CID 3023720

94135-59-8

Structural Information

Molecular Formula
C6H6ClNO2
SMILES
COC1=CC(=CNC1=O)Cl
InChI
InChI=1S/C6H6ClNO2/c1-10-5-2-4(7)3-8-6(5)9/h2-3H,1H3,(H,8,9)
InChIKey
YERTYULGRITLAF-UHFFFAOYSA-N
Compound name
5-chloro-3-methoxy-1H-pyridin-2-one
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

8
Patents

159.00871 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 160.015986 125.0
[M+Na]+ 181.997928 136.1
[M-H]- 158.001434 126.7
[M+NH4]+ 177.042533 145.2
[M+K]+ 197.971868 132.5
[M+H-H2O]+ 142.005970 120.3
[M+HCOO]- 204.006911 143.8
[M+CH3COO]- 218.022561 171.6
[M+Na-2H]- 179.983376 132.6
[M]+ 159.00816142 127.2
[M]- 159.00925858 127.2
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

patents stripe