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-chloro-2-pyridinyl)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]+ 219.008646 141.3
[M+Na]+ 240.990588 150.1
[M-H]- 216.994094 143.1
[M+NH4]+ 236.035193 159.5
[M+K]+ 256.964528 145.7
[M+H-H2O]+ 200.998630 136.3
[M+HCOO]- 262.999571 154.7
[M+CH3COO]- 277.015221 187.6
[M+Na-2H]- 238.976036 146.1
[M]+ 218.00082142 143.4
[M]- 218.00191858 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.