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
2
Annotation Hits

0
References

112
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 207.2
[M+Na]+ 553.02552 216.0
[M-H]- 529.02902 194.3
[M+NH4]+ 548.07012 178.6
[M+K]+ 568.99946 210.7
[M+H-H2O]+ 513.03356 190.9
[M+HCOO]- 575.03450 191.3
[M+CH3COO]- 589.05015 242.0
[M+Na-2H]- 551.01097 208.0
[M]+ 530.03575 186.2
[M]- 530.03685 186.2
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