CID 59112318

Schembl14265477

Structural Information

Molecular Formula

C₁₅H₁₅F₁₉OSi

SMILES

CO[Si](CCC(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(CCC(F)(F)F)CCC(F)(F)F

InChI

InChI=1S/C15H15F19OSi/c1-35-36(6-3-9(18,19)20,7-4-10(21,22)23)5-2-8(16,17)11(24,25)12(26,27)13(28,29)14(30,31)15(32,33)34/h2-7H2,1H3

InChIKey

FLRYLKOQCSSHED-UHFFFAOYSA-N

Compound name

methoxy-(3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooctyl)-bis(3,3,3-trifluoropropyl)silane

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 2
Patents: 600.0589 Da
Monoisotopic Mass: None
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	601.066176	189.8
[M+Na]+	623.048118	194.4
[M-H]-	599.051624	195.3
[M+NH4]+	618.092723	199.3
[M+K]+	639.022058	205.3
[M+H-H2O]+	583.056160	178.0
[M+HCOO]-	645.057101	208.7
[M+CH3COO]-	659.072751	251.4
[M+Na-2H]-	621.033566	187.4
[M]+	600.05835142	188.0
[M]-	600.05944858	188.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe