CID 129138490

1-(6-chloro-4-hydroxy-2-methoxypyridin-3-yl)ethan-1-one

Structural Information

Molecular Formula
C8H8ClNO3
SMILES
CC(=O)C1=C(NC(=CC1=O)Cl)OC
InChI
InChI=1S/C8H8ClNO3/c1-4(11)7-5(12)3-6(9)10-8(7)13-2/h3H,1-2H3,(H,10,12)
InChIKey
HCGBEFSUBAVHKE-UHFFFAOYSA-N
Compound name
3-acetyl-6-chloro-2-methoxy-1H-pyridin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

22
Patents

201.01927 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 202.026546 134.8
[M+Na]+ 224.008488 146.0
[M-H]- 200.011994 136.8
[M+NH4]+ 219.053093 153.5
[M+K]+ 239.982428 142.3
[M+H-H2O]+ 184.016530 130.1
[M+HCOO]- 246.017471 152.5
[M+CH3COO]- 260.033121 181.0
[M+Na-2H]- 221.993936 139.6
[M]+ 201.01872142 138.5
[M]- 201.01981858 138.5
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