CID 52991970

109134-39-6

Structural Information

Molecular Formula

C₈H₁₃F₇O₃Si

SMILES

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

InChI

InChI=1S/C8H13F7O3Si/c1-16-19(17-2,18-3)5-4-6(9,10)7(11,12)8(13,14)15/h4-5H2,1-3H3

InChIKey

SIUOAIYCRNJMLQ-UHFFFAOYSA-N

Compound name

3,3,4,4,5,5,5-heptafluoropentyl(trimethoxy)silane

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 40
Patents: 318.05222 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]+	319.05950	161.4
[M+Na]+	341.04144	169.3
[M-H]-	317.04494	152.9
[M+NH4]+	336.08604	176.2
[M+K]+	357.01538	168.6
[M+H-H2O]+	301.04948	151.6
[M+HCOO]-	363.05042	171.1
[M+CH3COO]-	377.06607	203.5
[M+Na-2H]-	339.02689	166.3
[M]+	318.05167	156.4
[M]-	318.05277	156.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe