CID 2776222

3,3,4,4,5,5,6,6,7,8,8,8-dodecafluoro-7-(trifluoromethyl)octyl methacrylate

Structural Information

Molecular Formula
C13H9F15O2
SMILES
CC(=C)C(=O)OCCC(C(C(C(C(C(F)(F)F)(C(F)(F)F)F)(F)F)(F)F)(F)F)(F)F
InChI
InChI=1S/C13H9F15O2/c1-5(2)6(29)30-4-3-7(14,15)9(17,18)11(21,22)10(19,20)8(16,12(23,24)25)13(26,27)28/h1,3-4H2,2H3
InChIKey
SAIYGCOTLRCBJP-UHFFFAOYSA-N
Compound name
[3,3,4,4,5,5,6,6,7,8,8,8-dodecafluoro-7-(trifluoromethyl)octyl] 2-methylprop-2-enoate
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

405
Patents

482.03632 Da
Monoisotopic Mass

6.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 483.04360 171.4
[M+Na]+ 505.02554 178.8
[M-H]- 481.02904 178.9
[M+NH4]+ 500.07014 182.8
[M+K]+ 520.99948 185.7
[M+H-H2O]+ 465.03358 163.3
[M+HCOO]- 527.03452 188.7
[M+CH3COO]- 541.05017 234.6
[M+Na-2H]- 503.01099 170.4
[M]+ 482.03577 170.3
[M]- 482.03687 170.3
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