CID 59112336

Schembl14265449

Structural Information

Molecular Formula

C₁₄H₁₂ClF₁₉Si

SMILES

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

InChI

InChI=1S/C14H12ClF19Si/c15-35(5-2-8(18,19)20,6-3-9(21,22)23)4-1-7(16,17)10(24,25)11(26,27)12(28,29)13(30,31)14(32,33)34/h1-6H2

InChIKey

DMJMZCZNQPAUAH-UHFFFAOYSA-N

Compound name

chloro-(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: 604.00934 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]+	605.016616	188.8
[M+Na]+	626.998558	194.2
[M-H]-	603.002064	194.5
[M+NH4]+	622.043163	198.3
[M+K]+	642.972498	205.2
[M+H-H2O]+	587.006600	177.5
[M+HCOO]-	649.007541	208.2
[M+CH3COO]-	663.023191	250.3
[M+Na-2H]-	624.984006	187.2
[M]+	604.00879142	189.0
[M]-	604.00988858	189.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe