CID 11447463

Bis(2,2,2-trifluoroethyl) carbonate

Structural Information

Molecular Formula
C5H4F6O3
SMILES
C(C(F)(F)F)OC(=O)OCC(F)(F)F
InChI
InChI=1S/C5H4F6O3/c6-4(7,8)1-13-3(12)14-2-5(9,10)11/h1-2H2
InChIKey
WLLOZRDOFANZMZ-UHFFFAOYSA-N
Compound name
bis(2,2,2-trifluoroethyl) carbonate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4105
Patents

226.00647 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 227.01375 136.9
[M+Na]+ 248.99569 146.0
[M-H]- 224.99919 130.0
[M+NH4]+ 244.04029 155.0
[M+K]+ 264.96963 145.6
[M+H-H2O]+ 209.00373 128.0
[M+HCOO]- 271.00467 151.5
[M+CH3COO]- 285.02032 185.2
[M+Na-2H]- 246.98114 141.4
[M]+ 226.00592 131.6
[M]- 226.00702 131.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe