CID 2779698

55676-22-7

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

1
References

1210
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

literature stripe

Patent stripe

patents stripe