CID 138396275

(1h,1h,2h,2h-perfluorooctyl)triacetoxysilane

Structural Information

Molecular Formula
C14H13F13O6Si
SMILES
CC(=O)O[Si](CCC(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(OC(=O)C)OC(=O)C
InChI
InChI=1S/C14H13F13O6Si/c1-6(28)31-34(32-7(2)29,33-8(3)30)5-4-9(15,16)10(17,18)11(19,20)12(21,22)13(23,24)14(25,26)27/h4-5H2,1-3H3
InChIKey
CROPQCLMPPCGNC-UHFFFAOYSA-N
Compound name
[diacetyloxy(3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooctyl)silyl] acetate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

552.0274 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 553.03468 185.5
[M+Na]+ 575.01662 192.0
[M-H]- 551.02012 197.1
[M+NH4]+ 570.06122 201.3
[M+K]+ 590.99056 198.8
[M+H-H2O]+ 535.02466 177.9
[M+HCOO]- 597.02560 201.0
[M+CH3COO]- 611.04125 240.8
[M+Na-2H]- 573.00207 182.7
[M]+ 552.02685 186.1
[M]- 552.02795 186.1
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.