CID 99770881

757-72-2

Structural Information

Molecular Formula

C₁₂H₆ClF₂₁O₃Si

SMILES

C(C(C(C(F)(F)F)(F)F)(F)F)O[Si](OCC(C(C(F)(F)F)(F)F)(F)F)(OCC(C(C(F)(F)F)(F)F)(F)F)Cl

InChI

InChI=1S/C12H6ClF21O3Si/c13-38(35-1-4(14,15)7(20,21)10(26,27)28,36-2-5(16,17)8(22,23)11(29,30)31)37-3-6(18,19)9(24,25)12(32,33)34/h1-3H2

InChIKey

XARNYZYNECWSDC-UHFFFAOYSA-N

Compound name

chloro-tris(2,2,3,3,4,4,4-heptafluorobutoxy)silane

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 0
Patents: 659.944 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]+	660.951276	184.8
[M+Na]+	682.933218	188.9
[M-H]-	658.936724	194.1
[M+NH4]+	677.977823	196.9
[M+K]+	698.907158	200.6
[M+H-H2O]+	642.941260	173.4
[M+HCOO]-	704.942201	204.5
[M+CH3COO]-	718.957851	254.3
[M+Na-2H]-	680.918666	184.5
[M]+	659.94345142	185.5
[M]-	659.94454858	185.5

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.