CID 42634538

Ethyl 2,2,3,3-tetrafluoropropyl carbonate

Structural Information

Molecular Formula
C6H8F4O3
SMILES
CCOC(=O)OCC(C(F)F)(F)F
InChI
InChI=1S/C6H8F4O3/c1-2-12-5(11)13-3-6(9,10)4(7)8/h4H,2-3H2,1H3
InChIKey
DDRDJHHMIJOBDV-UHFFFAOYSA-N
Compound name
ethyl 2,2,3,3-tetrafluoropropyl carbonate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

73
Patents

204.04095 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 205.04823 136.4
[M+Na]+ 227.03017 144.1
[M-H]- 203.03367 131.6
[M+NH4]+ 222.07477 155.3
[M+K]+ 243.00411 144.3
[M+H-H2O]+ 187.03821 128.5
[M+HCOO]- 249.03915 153.4
[M+CH3COO]- 263.05480 184.0
[M+Na-2H]- 225.01562 139.4
[M]+ 204.04040 134.3
[M]- 204.04150 134.3
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