CID 119031582

1-(tert-butyldimethylsilyl)-1h-indole-4-sulfonyl chloride

Structural Information

Molecular Formula

C₁₄H₂₀ClNO₂SSi

SMILES

CC(C)(C)[Si](C)(C)N1C=CC2=C1C=CC=C2S(=O)(=O)Cl

InChI

InChI=1S/C14H20ClNO2SSi/c1-14(2,3)20(4,5)16-10-9-11-12(16)7-6-8-13(11)19(15,17)18/h6-10H,1-5H3

InChIKey

VEQXIFOMHICKOD-UHFFFAOYSA-N

Compound name

1-[tert-butyl(dimethyl)silyl]indole-4-sulfonyl chloride

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 329.06726 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]+	330.074536	176.1
[M+Na]+	352.056478	187.4
[M-H]-	328.059984	180.5
[M+NH4]+	347.101083	194.5
[M+K]+	368.030418	182.3
[M+H-H2O]+	312.064520	171.5
[M+HCOO]-	374.065461	185.6
[M+CH3COO]-	388.081111	202.1
[M+Na-2H]-	350.041926	180.5
[M]+	329.06671142	184.4
[M]-	329.06780858	184.4

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.