CID 46739783

881381-12-0

Structural Information

Molecular Formula

C₁₁H₁₅BO₃S

SMILES

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

InChI

InChI=1S/C11H15BO3S/c1-10(2)11(3,4)15-12(14-10)8-5-9(6-13)16-7-8/h5-7H,1-4H3

InChIKey

TWTLMECTLHOTSN-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 37
Patents: 238.0835 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]+	239.090776	145.2
[M+Na]+	261.072718	155.9
[M-H]-	237.076224	154.5
[M+NH4]+	256.117323	169.1
[M+K]+	277.046658	156.2
[M+H-H2O]+	221.080760	143.3
[M+HCOO]-	283.081701	163.4
[M+CH3COO]-	297.097351	188.3
[M+Na-2H]-	259.058166	148.2
[M]+	238.08295142	151.7
[M]-	238.08404858	151.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe