CID 165990834

2763777-51-9

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)-2-pyridinyl]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]+ 253.035006 147.2
[M+Na]+ 275.016948 155.9
[M-H]- 251.020454 145.8
[M+NH4]+ 270.061553 163.6
[M+K]+ 290.990888 151.8
[M+H-H2O]+ 235.024990 138.9
[M+HCOO]- 297.025931 160.7
[M+CH3COO]- 311.041581 193.8
[M+Na-2H]- 273.002396 151.2
[M]+ 252.02718142 144.7
[M]- 252.02827858 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.