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
1
Annotation Hits

0
References

6
Patents

159.00871 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 160.01599 125.0
[M+Na]+ 181.99793 136.1
[M-H]- 158.00143 126.7
[M+NH4]+ 177.04253 145.2
[M+K]+ 197.97187 132.5
[M+H-H2O]+ 142.00597 120.3
[M+HCOO]- 204.00691 143.8
[M+CH3COO]- 218.02256 171.6
[M+Na-2H]- 179.98338 132.6
[M]+ 159.00816 127.2
[M]- 159.00926 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