CID 11367834

Bis(2,2,2-trifluoroethoxy)methane

Structural Information

Molecular Formula
C5H6F6O2
SMILES
C(C(F)(F)F)OCOCC(F)(F)F
InChI
InChI=1S/C5H6F6O2/c6-4(7,8)1-12-3-13-2-5(9,10)11/h1-3H2
InChIKey
KKHZAEZCSWPRGO-UHFFFAOYSA-N
Compound name
1,1,1-trifluoro-2-(2,2,2-trifluoroethoxymethoxy)ethane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

184
Patents

212.02719 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 213.034466 135.8
[M+Na]+ 235.016408 144.6
[M-H]- 211.019914 128.7
[M+NH4]+ 230.061013 154.5
[M+K]+ 250.990348 143.9
[M+H-H2O]+ 195.024450 126.8
[M+HCOO]- 257.025391 150.9
[M+CH3COO]- 271.041041 184.8
[M+Na-2H]- 233.001856 141.3
[M]+ 212.02664142 130.6
[M]- 212.02773858 130.6
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

patents stripe