CID 45792052

2,2,2-trifluoroethyl n-(oxolan-2-ylmethyl)carbamate

Structural Information

Molecular Formula
C8H12F3NO3
SMILES
C1CC(OC1)CNC(=O)OCC(F)(F)F
InChI
InChI=1S/C8H12F3NO3/c9-8(10,11)5-15-7(13)12-4-6-2-1-3-14-6/h6H,1-5H2,(H,12,13)
InChIKey
UDQZHVIQWBZFCA-UHFFFAOYSA-N
Compound name
2,2,2-trifluoroethyl N-(oxolan-2-ylmethyl)carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

227.07693 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 228.08421 145.5
[M+Na]+ 250.06615 150.8
[M-H]- 226.06965 145.0
[M+NH4]+ 245.11075 163.3
[M+K]+ 266.04009 151.1
[M+H-H2O]+ 210.07419 137.5
[M+HCOO]- 272.07513 163.3
[M+CH3COO]- 286.09078 186.6
[M+Na-2H]- 248.05160 149.2
[M]+ 227.07638 141.2
[M]- 227.07748 141.2
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.