CID 2735870

20120-44-9

Structural Information

Molecular Formula
C11H5F15O2
SMILES
C=CCOC(=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/C11H5F15O2/c1-2-3-28-4(27)5(12,13)6(14,15)7(16,17)8(18,19)9(20,21)10(22,23)11(24,25)26/h2H,1,3H2
InChIKey
DNFFZVPOFBBNHH-UHFFFAOYSA-N
Compound name
prop-2-enyl 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

188
Patents

454.005 Da
Monoisotopic Mass

5.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 455.012276 161.1
[M+Na]+ 476.994218 168.4
[M-H]- 452.997724 167.7
[M+NH4]+ 472.038823 171.2
[M+K]+ 492.968158 174.3
[M+H-H2O]+ 437.002260 152.8
[M+HCOO]- 499.003201 181.2
[M+CH3COO]- 513.018851 229.4
[M+Na-2H]- 474.979666 160.8
[M]+ 454.00445142 160.3
[M]- 454.00554858 160.3
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

patents stripe