CID 16761714

1045809-78-6

Structural Information

Molecular Formula

C₉H₁₄BNO₂S

SMILES

B1(OC(C(O1)(C)C)(C)C)C2=CC=NS2

InChI

InChI=1S/C9H14BNO2S/c1-8(2)9(3,4)13-10(12-8)7-5-6-11-14-7/h5-6H,1-4H3

InChIKey

UPECZVDBUMIIIL-UHFFFAOYSA-N

Compound name

5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,2-thiazole

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 133
Patents: 211.08383 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]+	212.09111	138.2
[M+Na]+	234.07305	148.9
[M-H]-	210.07655	146.1
[M+NH4]+	229.11765	161.8
[M+K]+	250.04699	149.9
[M+H-H2O]+	194.08109	135.2
[M+HCOO]-	256.08203	155.5
[M+CH3COO]-	270.09768	153.3
[M+Na-2H]-	232.05850	142.0
[M]+	211.08328	143.3
[M]-	211.08438	143.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe