CID 72212724

1196152-96-1

Structural Information

Molecular Formula
C8H8ClNO2
SMILES
CC(=O)C1=CC(=C(N=C1)OC)Cl
InChI
InChI=1S/C8H8ClNO2/c1-5(11)6-3-7(9)8(12-2)10-4-6/h3-4H,1-2H3
InChIKey
IJYFRRQXGDJYDC-UHFFFAOYSA-N
Compound name
1-(5-chloro-6-methoxypyridin-3-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 132.8
[M+Na]+ 208.01357 143.3
[M-H]- 184.01707 135.8
[M+NH4]+ 203.05817 152.7
[M+K]+ 223.98751 140.6
[M+H-H2O]+ 168.02161 127.6
[M+HCOO]- 230.02255 151.6
[M+CH3COO]- 244.03820 181.0
[M+Na-2H]- 205.99902 138.8
[M]+ 185.02380 137.2
[M]- 185.02490 137.2
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

No patent data available for this compound.