CID 84812

15166-00-4

Structural Information

Molecular Formula
C15H9F19O2
SMILES
CC(=C)C(=O)OCCC(C(C(C(C(C(C(C(F)(F)F)(C(F)(F)F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F
InChI
InChI=1S/C15H9F19O2/c1-5(2)6(35)36-4-3-7(16,17)9(19,20)11(23,24)13(27,28)12(25,26)10(21,22)8(18,14(29,30)31)15(32,33)34/h1,3-4H2,2H3
InChIKey
KTPONRIHDUNNPD-UHFFFAOYSA-N
Compound name
[3,3,4,4,5,5,6,6,7,7,8,8,9,10,10,10-hexadecafluoro-9-(trifluoromethyl)decyl] 2-methylprop-2-enoate
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

526
Patents

582.0299 Da
Monoisotopic Mass

7.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 583.03718 187.1
[M+Na]+ 605.01912 193.1
[M-H]- 581.02262 197.2
[M+NH4]+ 600.06372 200.2
[M+K]+ 620.99306 203.8
[M+H-H2O]+ 565.02716 176.6
[M+HCOO]- 627.02810 203.5
[M+CH3COO]- 641.04375 249.5
[M+Na-2H]- 603.00457 186.4
[M]+ 582.02935 185.7
[M]- 582.03045 185.7
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