CID 53431090

Dichlorobis(1,1,2,2,3,3,6,6,6-nonafluorohexyl)silane

Structural Information

Molecular Formula
C12H8Cl2F18Si
SMILES
C(CC(F)(F)F)C(C(C(F)(F)[Si](C(C(C(CCC(F)(F)F)(F)F)(F)F)(F)F)(Cl)Cl)(F)F)(F)F
InChI
InChI=1S/C12H8Cl2F18Si/c13-33(14,11(29,30)9(25,26)5(15,16)1-3-7(19,20)21)12(31,32)10(27,28)6(17,18)2-4-8(22,23)24/h1-4H2
InChIKey
MIZYXWOLOKZZFU-UHFFFAOYSA-N
Compound name
dichloro-bis(1,1,2,2,3,3,6,6,6-nonafluorohexyl)silane
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

16
Patents

591.9485 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 592.95578 184.4
[M+Na]+ 614.93772 190.4
[M-H]- 590.94122 191.2
[M+NH4]+ 609.98232 194.4
[M+K]+ 630.91166 200.9
[M+H-H2O]+ 574.94576 173.9
[M+HCOO]- 636.94670 204.6
[M+CH3COO]- 650.96235 246.7
[M+Na-2H]- 612.92317 183.9
[M]+ 591.94795 187.7
[M]- 591.94905 187.7
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

patents stripe