CID 2778333

93706-76-4

Structural Information

Molecular Formula
C15H11F17O3
SMILES
CC(=C)C(=O)OCC(CC(C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)O
InChI
InChI=1S/C15H11F17O3/c1-5(2)7(34)35-4-6(33)3-8(16,17)9(18,19)10(20,21)11(22,23)12(24,25)13(26,27)14(28,29)15(30,31)32/h6,33H,1,3-4H2,2H3
InChIKey
DCXZWVLJCYXHDV-UHFFFAOYSA-N
Compound name
(4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,11-heptadecafluoro-2-hydroxyundecyl) 2-methylprop-2-enoate
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

478
Patents

562.0437 Da
Monoisotopic Mass

6.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 563.05098 184.2
[M+Na]+ 585.03292 189.7
[M-H]- 561.03642 194.2
[M+NH4]+ 580.07752 196.4
[M+K]+ 601.00686 199.6
[M+H-H2O]+ 545.04096 174.2
[M+HCOO]- 607.04190 197.2
[M+CH3COO]- 621.05755 245.4
[M+Na-2H]- 583.01837 182.4
[M]+ 562.04315 181.9
[M]- 562.04425 181.9
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