CID 23058092

596819-12-4

Structural Information

Molecular Formula

C₁₁H₁₇BO₃S

SMILES

B1(OC(C(O1)(C)C)(C)C)C2=CC=C(S2)OC

InChI

InChI=1S/C11H17BO3S/c1-10(2)11(3,4)15-12(14-10)8-6-7-9(13-5)16-8/h6-7H,1-5H3

InChIKey

WAUOLRNNTGNWJP-UHFFFAOYSA-N

Compound name

2-(5-methoxythiophen-2-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 27
Patents: 240.09915 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]+	241.10643	149.4
[M+Na]+	263.08837	159.9
[M+NH4]+	258.13297	160.9
[M+K]+	279.06231	153.4
[M-H]-	239.09187	154.6
[M+Na-2H]-	261.07382	155.9
[M]+	240.09860	153.3
[M]-	240.09970	153.3

Literature stripe

literature stripe

Patent stripe

patents stripe