CID 138394925

Dtxsid30881364

Structural Information

Molecular Formula
C15H10F18O2
SMILES
CC(C(C(C(C(C(C(C(C(CCOC(=O)C=C)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F
InChI
InChI=1S/C15H10F18O2/c1-3-6(34)35-5-4-8(18,19)10(22,23)12(26,27)14(30,31)15(32,33)13(28,29)11(24,25)9(20,21)7(2,16)17/h3H,1,4-5H2,2H3
InChIKey
JIFGTNPOBGCFCV-UHFFFAOYSA-N
Compound name
3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11-octadecafluorododecyl prop-2-enoate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

564.0393 Da
Monoisotopic Mass

7.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 565.04658 182.5
[M+Na]+ 587.02852 188.1
[M-H]- 563.03202 191.3
[M+NH4]+ 582.07312 194.4
[M+K]+ 603.00246 198.4
[M+H-H2O]+ 547.03656 171.4
[M+HCOO]- 609.03750 201.1
[M+CH3COO]- 623.05315 248.0
[M+Na-2H]- 585.01397 181.4
[M]+ 564.03875 182.0
[M]- 564.03985 182.0
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

No patent data available for this compound.