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

1229
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 125.8
[M+Na]+ 178.00302 135.9
[M-H]- 154.00652 128.5
[M+NH4]+ 173.04762 146.6
[M+K]+ 193.97696 132.8
[M+H-H2O]+ 138.01106 120.7
[M+HCOO]- 200.01200 144.7
[M+CH3COO]- 214.02765 174.9
[M+Na-2H]- 175.98847 133.0
[M]+ 155.01325 128.0
[M]- 155.01435 128.0
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