CID 129918247

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

Structural Information

Molecular Formula
C8H8ClNO2
SMILES
CC(=O)C1=C(C(=NC=C1)OC)Cl
InChI
InChI=1S/C8H8ClNO2/c1-5(11)6-3-4-10-8(12-2)7(6)9/h3-4H,1-2H3
InChIKey
IKEUPRZCLNVFPH-UHFFFAOYSA-N
Compound name
1-(3-chloro-2-methoxypyridin-4-yl)ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

185.02435 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 186.03163 134.1
[M+Na]+ 208.01357 148.5
[M+NH4]+ 203.05817 142.5
[M+K]+ 223.98751 142.2
[M-H]- 184.01707 135.4
[M+Na-2H]- 205.99902 141.1
[M]+ 185.02380 136.8
[M]- 185.02490 136.8
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.