CID 131852822

352538-84-2

Structural Information

Molecular Formula
C45H75F13O12Si8
SMILES
C[Si](C)(CCC(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)O[Si]1(O[Si]2(O[Si](O[Si]3(O[Si](O[Si](O1)(O[Si](O3)(O2)C4CCCC4)C5CCCC5)(C6CCCC6)O)C7CCCC7)(C8CCCC8)O)C9CCCC9)C1CCCC1
InChI
InChI=1S/C45H75F13O12Si8/c1-71(2,32-31-40(46,47)41(48,49)42(50,51)43(52,53)44(54,55)45(56,57)58)61-74(35-21-7-8-22-35)66-76(37-25-11-12-26-37)64-72(59,33-17-3-4-18-33)62-75(36-23-9-10-24-36)63-73(60,34-19-5-6-20-34)65-77(67-74,38-27-13-14-28-38)70-78(68-75,69-76)39-29-15-16-30-39/h33-39,59-60H,3-32H2,1-2H3
InChIKey
KPGCEMIQTUXJTQ-UHFFFAOYSA-N
Compound name
(1,3,5,7,9,11,14-heptacyclopentyl-7,14-dihydroxy-2,4,6,8,10,12,13,15,16-nonaoxa-1,3,5,7,9,11,14-heptasilatricyclo[7.3.3.15,11]hexadecan-3-yl)oxy-dimethyl-(3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooctyl)silane
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

1278.3206 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 1279.3279 311.0
[M+Na]+ 1301.3098 311.0
[M-H]- 1277.3133 311.0
[M+NH4]+ 1296.3544 311.0
[M+K]+ 1317.2838 311.0
[M+H-H2O]+ 1261.3179 311.0
[M+HCOO]- 1323.3188 311.0
[M+CH3COO]- 1337.3345 311.0
[M+Na-2H]- 1299.2953 311.0
[M]+ 1278.3201 311.0
[M]- 1278.3211 311.0
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.