CID 138396371

[(4-{3-[(3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooctyl)sulfanyl]propyl}-1,2-phenylene)bis(oxy)]bis(triethylsilane)

Structural Information

Molecular Formula
C29H43F13O2SSi2
SMILES
CC[Si](CC)(CC)OC1=C(C=C(C=C1)CCCSCCC(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)O[Si](CC)(CC)CC
InChI
InChI=1S/C29H43F13O2SSi2/c1-7-46(8-2,9-3)43-22-16-15-21(20-23(22)44-47(10-4,11-5)12-6)14-13-18-45-19-17-24(30,31)25(32,33)26(34,35)27(36,37)28(38,39)29(40,41)42/h15-16,20H,7-14,17-19H2,1-6H3
InChIKey
SPMIFTWZBPRYPL-UHFFFAOYSA-N
Compound name
triethyl-[4-[3-(3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooctylsulfanyl)propyl]-2-triethylsilyloxyphenoxy]silane
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

758.23145 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 759.23873 237.5
[M+Na]+ 781.22067 240.2
[M-H]- 757.22417 236.2
[M+NH4]+ 776.26527 246.2
[M+K]+ 797.19461 252.2
[M+H-H2O]+ 741.22871 225.4
[M+HCOO]- 803.22965 256.1
[M+CH3COO]- 817.24530 278.7
[M+Na-2H]- 779.20612 226.7
[M]+ 758.23090 239.7
[M]- 758.23200 239.7
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

No patent data available for this compound.