CID 10658979

Benzo[b]thiophene-3-boronic acid pinacol ester

Structural Information

Molecular Formula
C14H17BO2S
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=CSC3=CC=CC=C23
InChI
InChI=1S/C14H17BO2S/c1-13(2)14(3,4)17-15(16-13)11-9-18-12-8-6-5-7-10(11)12/h5-9H,1-4H3
InChIKey
LTSGSDOTQABJMA-UHFFFAOYSA-N
Compound name
2-(1-benzothiophen-3-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

67
Patents

260.10422 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 261.11150 152.6
[M+Na]+ 283.09344 164.9
[M-H]- 259.09694 163.2
[M+NH4]+ 278.13804 177.0
[M+K]+ 299.06738 163.7
[M+H-H2O]+ 243.10148 149.8
[M+HCOO]- 305.10242 170.9
[M+CH3COO]- 319.11807 167.9
[M+Na-2H]- 281.07889 156.9
[M]+ 260.10367 159.8
[M]- 260.10477 159.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe