CID 125424520

2,2,2-trifluoroethyl n-[(2,2,2-trifluoroethoxy)carbonyl]carbamate

Structural Information

Molecular Formula
C6H5F6NO4
SMILES
C(C(F)(F)F)OC(=O)NC(=O)OCC(F)(F)F
InChI
InChI=1S/C6H5F6NO4/c7-5(8,9)1-16-3(14)13-4(15)17-2-6(10,11)12/h1-2H2,(H,13,14,15)
InChIKey
BLSWEMKDMMXMLJ-UHFFFAOYSA-N
Compound name
2,2,2-trifluoroethyl N-(2,2,2-trifluoroethoxycarbonyl)carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

269.01227 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 270.01955 146.3
[M+Na]+ 292.00149 154.1
[M-H]- 268.00499 139.1
[M+NH4]+ 287.04609 162.2
[M+K]+ 307.97543 153.8
[M+H-H2O]+ 252.00953 136.6
[M+HCOO]- 314.01047 161.0
[M+CH3COO]- 328.02612 193.5
[M+Na-2H]- 289.98694 149.6
[M]+ 269.01172 140.5
[M]- 269.01282 140.5
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.