CID 52991866

Dtxsid701027294

Structural Information

Molecular Formula
C6F14O3
SMILES
C(C(OC(OC(F)(F)F)(F)F)(F)F)(C(F)(F)F)(OC(F)(F)F)F
InChI
InChI=1S/C6F14O3/c7-1(2(8,9)10,21-4(13,14)15)3(11,12)22-6(19,20)23-5(16,17)18
InChIKey
DWDSPARIQHQUCN-UHFFFAOYSA-N
Compound name
1-[difluoro(trifluoromethoxy)methoxy]-1,1,2,3,3,3-hexafluoro-2-(trifluoromethoxy)propane
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

14
Patents

385.9624 Da
Monoisotopic Mass

5.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 386.96968 168.4
[M+Na]+ 408.95162 178.4
[M-H]- 384.95512 153.7
[M+NH4]+ 403.99622 149.6
[M+K]+ 424.92556 176.8
[M+H-H2O]+ 368.95966 154.4
[M+HCOO]- 430.96060 164.4
[M+CH3COO]- 444.97625 215.3
[M+Na-2H]- 406.93707 172.8
[M]+ 385.96185 150.1
[M]- 385.96295 150.1
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