CID 165990834

2-chloro-n-[4-(trifluoromethyl)pyridin-2-yl]propanamide

Structural Information

Molecular Formula
C9H8ClF3N2O
SMILES
CC(C(=O)NC1=NC=CC(=C1)C(F)(F)F)Cl
InChI
InChI=1S/C9H8ClF3N2O/c1-5(10)8(16)15-7-4-6(2-3-14-7)9(11,12)13/h2-5H,1H3,(H,14,15,16)
InChIKey
UXXDMTAQUUMJCS-UHFFFAOYSA-N
Compound name
2-chloro-N-[4-(trifluoromethyl)pyridin-2-yl]propanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

252.02773 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 253.03501 147.2
[M+Na]+ 275.01695 155.9
[M-H]- 251.02045 145.8
[M+NH4]+ 270.06155 163.6
[M+K]+ 290.99089 151.8
[M+H-H2O]+ 235.02499 138.9
[M+HCOO]- 297.02593 160.7
[M+CH3COO]- 311.04158 193.8
[M+Na-2H]- 273.00240 151.2
[M]+ 252.02718 144.7
[M]- 252.02828 144.7
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.