CID 11971316

94159-88-3

Structural Information

Molecular Formula
C14H11F17O2
SMILES
CC1(OCC(O1)CC(C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)C
InChI
InChI=1S/C14H11F17O2/c1-6(2)32-4-5(33-6)3-7(15,16)8(17,18)9(19,20)10(21,22)11(23,24)12(25,26)13(27,28)14(29,30)31/h5H,3-4H2,1-2H3
InChIKey
UCXJEPZAXJRBAT-UHFFFAOYSA-N
Compound name
4-(2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,9-heptadecafluorononyl)-2,2-dimethyl-1,3-dioxolane
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

534.04877 Da
Monoisotopic Mass

6.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 535.05605 203.4
[M+Na]+ 557.03799 212.1
[M-H]- 533.04149 190.6
[M+NH4]+ 552.08259 187.3
[M+K]+ 573.01193 210.9
[M+H-H2O]+ 517.04603 189.9
[M+HCOO]- 579.04697 204.6
[M+CH3COO]- 593.06262 242.0
[M+Na-2H]- 555.02344 207.8
[M]+ 534.04822 179.3
[M]- 534.04932 179.3
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.