CID 4583439

2-chloro-n-(3,5-dichloropyridin-2-yl)propanamide

Structural Information

Molecular Formula
C8H7Cl3N2O
SMILES
CC(C(=O)NC1=C(C=C(C=N1)Cl)Cl)Cl
InChI
InChI=1S/C8H7Cl3N2O/c1-4(9)8(14)13-7-6(11)2-5(10)3-12-7/h2-4H,1H3,(H,12,13,14)
InChIKey
LNSJNKMEAJUSBK-UHFFFAOYSA-N
Compound name
2-chloro-N-(3,5-dichloropyridin-2-yl)propanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

251.9624 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 252.96968 146.6
[M+Na]+ 274.95162 156.1
[M-H]- 250.95512 147.5
[M+NH4]+ 269.99622 163.6
[M+K]+ 290.92556 150.9
[M+H-H2O]+ 234.95966 142.4
[M+HCOO]- 296.96060 154.5
[M+CH3COO]- 310.97625 194.0
[M+Na-2H]- 272.93707 149.6
[M]+ 251.96185 149.1
[M]- 251.96295 149.1
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.