CID 146155433

1035265-80-5

Structural Information

Molecular Formula

C₁₁H₁₂BrFSi

SMILES

C[Si](C)(C)C#CC1=CC(=C(C=C1)F)Br

InChI

InChI=1S/C11H12BrFSi/c1-14(2,3)7-6-9-4-5-11(13)10(12)8-9/h4-5,8H,1-3H3

InChIKey

CMEKPBMMSYAKBC-UHFFFAOYSA-N

Compound name

2-(3-bromo-4-fluorophenyl)ethynyl-trimethylsilane

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 269.98758 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]+	270.994856	150.5
[M+Na]+	292.976798	164.8
[M-H]-	268.980304	153.3
[M+NH4]+	288.021403	169.6
[M+K]+	308.950738	151.9
[M+H-H2O]+	252.984840	144.4
[M+HCOO]-	314.985781	166.3
[M+CH3COO]-	329.001431	199.7
[M+Na-2H]-	290.962246	155.6
[M]+	269.98703142	161.5
[M]-	269.98812858	161.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe