CID 11094295

1,3-bis[(perfluorooctyl)ethylthio]-2-propanol

Structural Information

Molecular Formula
C23H14F34OS2
SMILES
C(CSCC(CSCCC(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)C(C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F
InChI
InChI=1S/C23H14F34OS2/c24-8(25,10(28,29)12(32,33)14(36,37)16(40,41)18(44,45)20(48,49)22(52,53)54)1-3-59-5-7(58)6-60-4-2-9(26,27)11(30,31)13(34,35)15(38,39)17(42,43)19(46,47)21(50,51)23(55,56)57/h7,58H,1-6H2
InChIKey
HRPCCJOIGIHBDM-UHFFFAOYSA-N
Compound name
1,3-bis(3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-heptadecafluorodecylsulfanyl)propan-2-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

1015.9943 Da
Monoisotopic Mass

13.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 1017.0016 152.5
[M+Na]+ 1038.9835 152.5
[M+NH4]+ 1034.0281 152.5
[M+K]+ 1054.9575 152.5
[M-H]- 1014.9870 152.5
[M+Na-2H]- 1036.9690 152.5
[M]+ 1015.9938 152.5
[M]- 1015.9948 152.5
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

No patent data available for this compound.