CID 4178887

40230-95-3

Structural Information

Molecular Formula

C₁₂H₁₃F₃Si

SMILES

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

InChI

InChI=1S/C12H13F3Si/c1-16(2,3)9-8-10-4-6-11(7-5-10)12(13,14)15/h4-7H,1-3H3

InChIKey

FHGNUAFFHLVAJP-UHFFFAOYSA-N

Compound name

trimethyl-[2-[4-(trifluoromethyl)phenyl]ethynyl]silane

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 32
Patents: 242.07387 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]+	243.081146	151.2
[M+Na]+	265.063088	161.3
[M-H]-	241.066594	149.8
[M+NH4]+	260.107693	167.6
[M+K]+	281.037028	156.6
[M+H-H2O]+	225.071130	137.8
[M+HCOO]-	287.072071	163.1
[M+CH3COO]-	301.087721	197.5
[M+Na-2H]-	263.048536	154.9
[M]+	242.07332142	142.3
[M]-	242.07441858	142.3

Literature stripe

literature stripe

Patent stripe

patents stripe