CID 2776224

16083-75-3

Structural Information

Molecular Formula
C13H9F15O3
SMILES
C=CC(=O)OCC(CC(C(C(C(C(C(F)(F)F)(C(F)(F)F)F)(F)F)(F)F)(F)F)(F)F)O
InChI
InChI=1S/C13H9F15O3/c1-2-6(30)31-4-5(29)3-7(14,15)9(17,18)11(21,22)10(19,20)8(16,12(23,24)25)13(26,27)28/h2,5,29H,1,3-4H2
InChIKey
LEAPLXCRUNAADY-UHFFFAOYSA-N
Compound name
[4,4,5,5,6,6,7,7,8,9,9,9-dodecafluoro-2-hydroxy-8-(trifluoromethyl)nonyl] prop-2-enoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

343
Patents

498.03122 Da
Monoisotopic Mass

5.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 499.03850 170.7
[M+Na]+ 521.02044 176.6
[M-H]- 497.02394 178.3
[M+NH4]+ 516.06504 180.7
[M+K]+ 536.99438 183.6
[M+H-H2O]+ 481.02848 161.6
[M+HCOO]- 543.02942 186.5
[M+CH3COO]- 557.04507 234.0
[M+Na-2H]- 519.00589 168.8
[M]+ 498.03067 168.4
[M]- 498.03177 168.4
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