CID 13011986

1-(4-chloropyridin-2-yl)ethanone

Structural Information

Molecular Formula
C7H6ClNO
SMILES
CC(=O)C1=NC=CC(=C1)Cl
InChI
InChI=1S/C7H6ClNO/c1-5(10)7-4-6(8)2-3-9-7/h2-4H,1H3
InChIKey
BHKULLGEGMMZQD-UHFFFAOYSA-N
Compound name
1-(4-chloropyridin-2-yl)ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

246
Patents

155.0138 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 156.02108 127.0
[M+Na]+ 178.00302 141.6
[M+NH4]+ 173.04762 136.1
[M+K]+ 193.97696 134.8
[M-H]- 154.00652 128.8
[M+Na-2H]- 175.98847 134.9
[M]+ 155.01325 129.9
[M]- 155.01435 129.9
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