CID 16218349

736987-75-0

Structural Information

Molecular Formula

C₁₂H₁₇BO₂S

SMILES

B1(OC(C(O1)(C)C)(C)C)/C=C/C2=CSC=C2

InChI

InChI=1S/C12H17BO2S/c1-11(2)12(3,4)15-13(14-11)7-5-10-6-8-16-9-10/h5-9H,1-4H3/b7-5+

InChIKey

MIMMTIXICVRKJI-FNORWQNLSA-N

Compound name

4,4,5,5-tetramethyl-2-[(E)-2-thiophen-3-ylethenyl]-1,3,2-dioxaborolane

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 48
Patents: 236.10423 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]+	237.11151	151.0
[M+Na]+	259.09345	161.6
[M+NH4]+	254.13805	162.6
[M+K]+	275.06739	153.9
[M-H]-	235.09695	156.4
[M+Na-2H]-	257.07890	157.7
[M]+	236.10368	154.9
[M]-	236.10478	154.9

Literature stripe

literature stripe

Patent stripe

patents stripe