CID 119973

28506-33-4

Structural Information

Molecular Formula
C15H9F19OS
SMILES
CC(=C)C(=O)SCCC(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/C15H9F19OS/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
LELPCBUDRUDINH-UHFFFAOYSA-N
Compound name
S-[3,3,4,4,5,5,6,6,7,7,8,8,9,10,10,10-hexadecafluoro-9-(trifluoromethyl)decyl] 2-methylprop-2-enethioate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

598.0071 Da
Monoisotopic Mass

8.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 599.01438 160.7
[M+Na]+ 620.99632 160.8
[M+NH4]+ 616.04092 160.6
[M+K]+ 636.97026 161.2
[M-H]- 596.99982 160.0
[M+Na-2H]- 618.98177 161.2
[M]+ 598.00655 160.5
[M]- 598.00765 160.5
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