CID 103991

1h,1h,2h,2h-perfluorooctyltriethoxysilane

Structural Information

Molecular Formula
C14H19F13O3Si
SMILES
CCO[Si](CCC(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(OCC)OCC
InChI
InChI=1S/C14H19F13O3Si/c1-4-28-31(29-5-2,30-6-3)8-7-9(15,16)10(17,18)11(19,20)12(21,22)13(23,24)14(25,26)27/h4-8H2,1-3H3
InChIKey
AVYKQOAMZCAHRG-UHFFFAOYSA-N
Compound name
triethoxy(3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooctyl)silane
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

11
References

7776
Patents

510.0896 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 511.09688 179.1
[M+Na]+ 533.07882 184.1
[M-H]- 509.08232 182.5
[M+NH4]+ 528.12342 187.9
[M+K]+ 549.05276 191.0
[M+H-H2O]+ 493.08686 169.6
[M+HCOO]- 555.08780 199.1
[M+CH3COO]- 569.10345 238.5
[M+Na-2H]- 531.06427 174.9
[M]+ 510.08905 179.6
[M]- 510.09015 179.6
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