CID 102982

Propane, 1-[1-[difluoro(1,2,2,2-tetrafluoroethoxy)methyl]-1,2,2,2-tetrafluoroethoxy]-1,1,2,2,3,3,3-heptafluoro-

Structural Information

Molecular Formula
C8HF17O2
SMILES
C(C(F)(F)F)(OC(C(C(F)(F)F)(OC(C(C(F)(F)F)(F)F)(F)F)F)(F)F)F
InChI
InChI=1S/C8HF17O2/c9-1(2(10,11)12)26-8(24,25)4(15,6(19,20)21)27-7(22,23)3(13,14)5(16,17)18/h1H
InChIKey
PYSYKOPZHYNYSZ-UHFFFAOYSA-N
Compound name
1,1,1,2,3,3-hexafluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)-3-(1,2,2,2-tetrafluoroethoxy)propane
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

361
Patents

451.97052 Da
Monoisotopic Mass

6.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 452.97780 155.1
[M+Na]+ 474.95974 161.6
[M-H]- 450.96324 161.1
[M+NH4]+ 470.00434 164.6
[M+K]+ 490.93368 167.7
[M+H-H2O]+ 434.96778 168.6
[M+HCOO]- 496.96872 174.4
[M+CH3COO]- 510.98437 228.3
[M+Na-2H]- 472.94519 185.7
[M]+ 451.96997 153.1
[M]- 451.97107 153.1
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