CID 10990566

257887-58-4

Structural Information

Molecular Formula

C₁₂H₂₁BrF₂Si

SMILES

CC(C)[Si](C#CC(F)(F)Br)(C(C)C)C(C)C

InChI

InChI=1S/C12H21BrF2Si/c1-9(2)16(10(3)4,11(5)6)8-7-12(13,14)15/h9-11H,1-6H3

InChIKey

YCLZLNSHJLHBMH-UHFFFAOYSA-N

Compound name

(3-bromo-3,3-difluoroprop-1-ynyl)-tri(propan-2-yl)silane

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 31
Patents: 310.0564 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]+	311.06368	164.8
[M+Na]+	333.04562	175.3
[M-H]-	309.04912	163.3
[M+NH4]+	328.09022	181.9
[M+K]+	349.01956	164.3
[M+H-H2O]+	293.05366	158.0
[M+HCOO]-	355.05460	174.2
[M+CH3COO]-	369.07025	209.2
[M+Na-2H]-	331.03107	165.2
[M]+	310.05585	174.0
[M]-	310.05695	174.0

Literature stripe

literature stripe

Patent stripe

patents stripe