CID 10641155

1-[(trimethylsilyl)ethynyl]-1,2-benziodoxol-3(1h)-one

Structural Information

Molecular Formula

C₁₂H₁₃IO₂Si

SMILES

C[Si](C)(C)C#CI1C2=CC=CC=C2C(=O)O1

InChI

InChI=1S/C12H13IO2Si/c1-16(2,3)9-8-13-11-7-5-4-6-10(11)12(14)15-13/h4-7H,1-3H3

InChIKey

KUCCHAADRXRBFZ-UHFFFAOYSA-N

Compound name

1-(2-trimethylsilylethynyl)-1lambda3,2-benziodoxol-3-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 13
Patents: 343.97296 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]+	344.98024	160.3
[M+Na]+	366.96218	165.4
[M-H]-	342.96568	157.3
[M+NH4]+	362.00678	174.0
[M+K]+	382.93612	165.5
[M+H-H2O]+	326.97022	146.4
[M+HCOO]-	388.97116	170.9
[M+CH3COO]-	402.98681	201.8
[M+Na-2H]-	364.94763	153.9
[M]+	343.97241	154.3
[M]-	343.97351	154.3

Literature stripe

literature stripe

Patent stripe

patents stripe