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

4
Patents

584.06555 Da
Monoisotopic Mass

6.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 585.07283 182.8
[M+Na]+ 607.05477 186.4
[M-H]- 583.05827 188.6
[M+NH4]+ 602.09937 191.9
[M+K]+ 623.02871 196.4
[M+H-H2O]+ 567.06281 171.9
[M+HCOO]- 629.06375 198.4
[M+CH3COO]- 643.07940 248.3
[M+Na-2H]- 605.04022 179.8
[M]+ 584.06500 179.9
[M]- 584.06610 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