CID 79078687

2,2,2-trifluoroethyl n-(2,2-difluoroethyl)carbamate

Structural Information

Molecular Formula
C5H6F5NO2
SMILES
C(C(F)F)NC(=O)OCC(F)(F)F
InChI
InChI=1S/C5H6F5NO2/c6-3(7)1-11-4(12)13-2-5(8,9)10/h3H,1-2H2,(H,11,12)
InChIKey
UYQXZRHMSSTCTF-UHFFFAOYSA-N
Compound name
2,2,2-trifluoroethyl N-(2,2-difluoroethyl)carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

207.03188 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 208.03916 135.7
[M+Na]+ 230.02110 143.1
[M-H]- 206.02460 129.6
[M+NH4]+ 225.06570 154.1
[M+K]+ 245.99504 142.6
[M+H-H2O]+ 190.02914 126.7
[M+HCOO]- 252.03008 152.7
[M+CH3COO]- 266.04573 186.1
[M+Na-2H]- 228.00655 138.8
[M]+ 207.03133 129.5
[M]- 207.03243 129.5
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.