CID 12663047

1,1,1,3,3,4,4-heptafluoro-4-((perfluoropropan-2-yl)oxy)-2-(trifluoromethyl)butan-2-ol

Structural Information

Molecular Formula
C8HF17O2
SMILES
C(C(C(OC(C(F)(F)F)(C(F)(F)F)F)(F)F)(F)F)(C(F)(F)F)(C(F)(F)F)O
InChI
InChI=1S/C8HF17O2/c9-2(10,1(26,4(12,13)14)5(15,16)17)8(24,25)27-3(11,6(18,19)20)7(21,22)23/h26H
InChIKey
KVSHXKNTOUTVCF-UHFFFAOYSA-N
Compound name
1,1,1,3,3,4,4-heptafluoro-4-(1,1,1,2,3,3,3-heptafluoropropan-2-yloxy)-2-(trifluoromethyl)butan-2-ol
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

451.97052 Da
Monoisotopic Mass

5.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 452.97780 153.3
[M+Na]+ 474.95974 158.4
[M-H]- 450.96324 159.8
[M+NH4]+ 470.00434 160.8
[M+K]+ 490.93368 165.1
[M+H-H2O]+ 434.96778 170.4
[M+HCOO]- 496.96872 174.0
[M+CH3COO]- 510.98437 225.6
[M+Na-2H]- 472.94519 153.3
[M]+ 451.96997 151.7
[M]- 451.97107 151.7
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

No patent data available for this compound.