CID 85800698

384828-83-5

Structural Information

Molecular Formula
C15H14F18O3
SMILES
C(COCC(COCCC(C(C(C(F)(F)F)(F)F)(F)F)(F)F)O)C(C(C(C(F)(F)F)(F)F)(F)F)(F)F
InChI
InChI=1S/C15H14F18O3/c16-8(17,10(20,21)12(24,25)14(28,29)30)1-3-35-5-7(34)6-36-4-2-9(18,19)11(22,23)13(26,27)15(31,32)33/h7,34H,1-6H2
InChIKey
KFFIJCKFHFFBBZ-UHFFFAOYSA-N
Compound name
1,3-bis(3,3,4,4,5,5,6,6,6-nonafluorohexoxy)propan-2-ol
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

3
Patents

584.06555 Da
Monoisotopic Mass

6.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 585.072826 182.8
[M+Na]+ 607.054768 186.4
[M-H]- 583.058274 188.6
[M+NH4]+ 602.099373 191.9
[M+K]+ 623.028708 196.4
[M+H-H2O]+ 567.062810 171.9
[M+HCOO]- 629.063751 198.4
[M+CH3COO]- 643.079401 248.3
[M+Na-2H]- 605.040216 179.8
[M]+ 584.06500142 179.9
[M]- 584.06609858 179.9
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