CID 45792203

2174007-72-6

Structural Information

Molecular Formula
C8H7F3N2O2
SMILES
C1=CN=CC=C1NC(=O)OCC(F)(F)F
InChI
InChI=1S/C8H7F3N2O2/c9-8(10,11)5-15-7(14)13-6-1-3-12-4-2-6/h1-4H,5H2,(H,12,13,14)
InChIKey
QBKKWJBKQQNTFD-UHFFFAOYSA-N
Compound name
2,2,2-trifluoroethyl N-pyridin-4-ylcarbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

220.04596 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 221.05324 141.6
[M+Na]+ 243.03518 149.3
[M-H]- 219.03868 140.0
[M+NH4]+ 238.07978 158.2
[M+K]+ 259.00912 147.4
[M+H-H2O]+ 203.04322 132.2
[M+HCOO]- 265.04416 161.1
[M+CH3COO]- 279.05981 186.3
[M+Na-2H]- 241.02063 148.4
[M]+ 220.04541 138.1
[M]- 220.04651 138.1
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.