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

179
Patents

212.02719 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 213.03447 135.8
[M+Na]+ 235.01641 144.6
[M-H]- 211.01991 128.7
[M+NH4]+ 230.06101 154.5
[M+K]+ 250.99035 143.9
[M+H-H2O]+ 195.02445 126.8
[M+HCOO]- 257.02539 150.9
[M+CH3COO]- 271.04104 184.8
[M+Na-2H]- 233.00186 141.3
[M]+ 212.02664 130.6
[M]- 212.02774 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