CID 3855178

2-chloro-n-(5-chloropyridin-2-yl)propanamide

Structural Information

Molecular Formula
C8H8Cl2N2O
SMILES
CC(C(=O)NC1=NC=C(C=C1)Cl)Cl
InChI
InChI=1S/C8H8Cl2N2O/c1-5(9)8(13)12-7-3-2-6(10)4-11-7/h2-5H,1H3,(H,11,12,13)
InChIKey
CNAAXGGFJZFRBZ-UHFFFAOYSA-N
Compound name
2-chloro-N-(5-chloropyridin-2-yl)propanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

218.00137 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 219.00865 141.3
[M+Na]+ 240.99059 150.1
[M-H]- 216.99409 143.1
[M+NH4]+ 236.03519 159.5
[M+K]+ 256.96453 145.7
[M+H-H2O]+ 200.99863 136.3
[M+HCOO]- 262.99957 154.7
[M+CH3COO]- 277.01522 187.6
[M+Na-2H]- 238.97604 146.1
[M]+ 218.00082 143.4
[M]- 218.00192 143.4
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.