CID 52991866

Pfpmie (ht-70)

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

0
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

No patent data available for this compound.