CID 21976868

216393-56-5

Structural Information

Molecular Formula

C₁₂H₂₀OSSi

SMILES

CC(C)(C)[Si](C)(C)OC1=CC(=CC=C1)S

InChI

InChI=1S/C12H20OSSi/c1-12(2,3)15(4,5)13-10-7-6-8-11(14)9-10/h6-9,14H,1-5H3

InChIKey

KRHCTXFJCFMFOR-UHFFFAOYSA-N

Compound name

3-[tert-butyl(dimethyl)silyl]oxybenzenethiol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 43
Patents: 240.10042 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]+	241.10770	153.4
[M+Na]+	263.08964	161.0
[M-H]-	239.09314	157.3
[M+NH4]+	258.13424	172.9
[M+K]+	279.06358	158.6
[M+H-H2O]+	223.09768	148.0
[M+HCOO]-	285.09862	168.5
[M+CH3COO]-	299.11427	190.8
[M+Na-2H]-	261.07509	157.0
[M]+	240.09987	157.7
[M]-	240.10097	157.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe