CID 4159002

401575-24-4

Structural Information

Molecular Formula
C8H7F3N2O
SMILES
C1=CC=NC(=C1)CNC(=O)C(F)(F)F
InChI
InChI=1S/C8H7F3N2O/c9-8(10,11)7(14)13-5-6-3-1-2-4-12-6/h1-4H,5H2,(H,13,14)
InChIKey
SCEMKHWGDPXKIJ-UHFFFAOYSA-N
Compound name
2,2,2-trifluoro-N-(pyridin-2-ylmethyl)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

15
Patents

204.05104 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 205.058316 138.4
[M+Na]+ 227.040258 146.1
[M-H]- 203.043764 136.8
[M+NH4]+ 222.084863 155.6
[M+K]+ 243.014198 143.7
[M+H-H2O]+ 187.048300 129.2
[M+HCOO]- 249.049241 157.7
[M+CH3COO]- 263.064891 184.9
[M+Na-2H]- 225.025706 145.2
[M]+ 204.05049142 133.6
[M]- 204.05158858 133.6
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

patents stripe