CID 123578

78560-45-9

Structural Information

Molecular Formula
C8H4Cl3F13Si
SMILES
C(C[Si](Cl)(Cl)Cl)C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F
InChI
InChI=1S/C8H4Cl3F13Si/c9-25(10,11)2-1-3(12,13)4(14,15)5(16,17)6(18,19)7(20,21)8(22,23)24/h1-2H2
InChIKey
PISDRBMXQBSCIP-UHFFFAOYSA-N
Compound name
trichloro(3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooctyl)silane
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

22
References

5477
Patents

479.894 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 480.901276 177.2
[M+Na]+ 502.883218 187.1
[M-H]- 478.886724 163.5
[M+NH4]+ 497.927823 186.5
[M+K]+ 518.857158 179.8
[M+H-H2O]+ 462.891260 165.3
[M+HCOO]- 524.892201 163.9
[M+CH3COO]- 538.907851 228.1
[M+Na-2H]- 500.868666 180.0
[M]+ 479.89345142 161.6
[M]- 479.89454858 161.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe