CID 2778077

4-vinylbenzyl perfluorooctanoate

Structural Information

Molecular Formula
C17H9F15O2
SMILES
C=CC1=CC=C(C=C1)COC(=O)C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F
InChI
InChI=1S/C17H9F15O2/c1-2-8-3-5-9(6-4-8)7-34-10(33)11(18,19)12(20,21)13(22,23)14(24,25)15(26,27)16(28,29)17(30,31)32/h2-6H,1,7H2
InChIKey
YWVKVBIQFSFMMV-UHFFFAOYSA-N
Compound name
(4-ethenylphenyl)methyl 2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-pentadecafluorooctanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

109
Patents

530.0363 Da
Monoisotopic Mass

7.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 531.04358 170.2
[M+Na]+ 553.02552 170.3
[M+NH4]+ 548.07012 169.7
[M+K]+ 568.99946 170.0
[M-H]- 529.02902 167.6
[M+Na-2H]- 551.01097 169.8
[M]+ 530.03575 169.4
[M]- 530.03685 169.4
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