CID 56776925

1040281-84-2

Structural Information

Molecular Formula

C₁₀H₁₄BClO₂S

SMILES

B1(OC(C(O1)(C)C)(C)C)C2=CC(=CS2)Cl

InChI

InChI=1S/C10H14BClO2S/c1-9(2)10(3,4)14-11(13-9)8-5-7(12)6-15-8/h5-6H,1-4H3

InChIKey

FQPQQVUHQXLKDP-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 14
Patents: 244.0496 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]+	245.056876	146.0
[M+Na]+	267.038818	157.5
[M-H]-	243.042324	155.4
[M+NH4]+	262.083423	170.6
[M+K]+	283.012758	156.3
[M+H-H2O]+	227.046860	144.7
[M+HCOO]-	289.047801	159.4
[M+CH3COO]-	303.063451	161.1
[M+Na-2H]-	265.024266	148.6
[M]+	244.04905142	152.9
[M]-	244.05014858	152.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe