CID 3023876

94159-91-8

Structural Information

Molecular Formula
C17H11F17O2
SMILES
C1=CC=C(C=C1)OCC(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)O
InChI
InChI=1S/C17H11F17O2/c18-10(19,6-8(35)7-36-9-4-2-1-3-5-9)11(20,21)12(22,23)13(24,25)14(26,27)15(28,29)16(30,31)17(32,33)34/h1-5,8,35H,6-7H2
InChIKey
LXBFURBCWJWTTM-UHFFFAOYSA-N
Compound name
4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,11-heptadecafluoro-1-phenoxyundecan-2-ol
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

2
Patents

570.04877 Da
Monoisotopic Mass

7.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 571.05605 215.7
[M+Na]+ 593.03799 177.3
[M-H]- 569.04149 177.0
[M+NH4]+ 588.08259 180.0
[M+K]+ 609.01193 218.2
[M+H-H2O]+ 553.04603 198.5
[M+HCOO]- 615.04697 191.3
[M+CH3COO]- 629.06262 246.3
[M+Na-2H]- 591.02344 216.7
[M]+ 570.04822 169.2
[M]- 570.04932 169.2
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