CID 5086457

2-chloro-n-(pyridin-3-yl)acetamide hydrochloride

Structural Information

Molecular Formula
C7H7ClN2O
SMILES
C1=CC(=CN=C1)NC(=O)CCl
InChI
InChI=1S/C7H7ClN2O/c8-4-7(11)10-6-2-1-3-9-5-6/h1-3,5H,4H2,(H,10,11)
InChIKey
FTVOPJWASFGKBY-UHFFFAOYSA-N
Compound name
2-chloro-N-pyridin-3-ylacetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

87
Patents

170.02469 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 171.03197 131.6
[M+Na]+ 193.01391 139.8
[M-H]- 169.01741 133.8
[M+NH4]+ 188.05851 151.1
[M+K]+ 208.98785 136.6
[M+H-H2O]+ 153.02195 125.7
[M+HCOO]- 215.02289 151.4
[M+CH3COO]- 229.03854 177.8
[M+Na-2H]- 190.99936 139.6
[M]+ 170.02414 132.5
[M]- 170.02524 132.5
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