CID 3685970

Tris(2,2,2-trifluoroethyl)orthoformate

Structural Information

Molecular Formula
C7H7F9O3
SMILES
C(C(F)(F)F)OC(OCC(F)(F)F)OCC(F)(F)F
InChI
InChI=1S/C7H7F9O3/c8-5(9,10)1-17-4(18-2-6(11,12)13)19-3-7(14,15)16/h4H,1-3H2
InChIKey
IESBVSNCDNHMSL-UHFFFAOYSA-N
Compound name
2-[bis(2,2,2-trifluoroethoxy)methoxy]-1,1,1-trifluoroethane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

180
Patents

310.02515 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 311.03243 156.2
[M+Na]+ 333.01437 164.5
[M-H]- 309.01787 145.3
[M+NH4]+ 328.05897 170.4
[M+K]+ 348.98831 163.4
[M+H-H2O]+ 293.02241 144.5
[M+HCOO]- 355.02335 165.0
[M+CH3COO]- 369.03900 202.2
[M+Na-2H]- 330.99982 158.7
[M]+ 310.02460 147.4
[M]- 310.02570 147.4
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