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

203
Patents

454.005 Da
Monoisotopic Mass

5.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 455.01228 161.1
[M+Na]+ 476.99422 168.4
[M-H]- 452.99772 167.7
[M+NH4]+ 472.03882 171.2
[M+K]+ 492.96816 174.3
[M+H-H2O]+ 437.00226 152.8
[M+HCOO]- 499.00320 181.2
[M+CH3COO]- 513.01885 229.4
[M+Na-2H]- 474.97967 160.8
[M]+ 454.00445 160.3
[M]- 454.00555 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