CID 56973026

1000160-75-7

Structural Information

Molecular Formula
C14H17BO2S
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=C3C=CSC3=CC=C2
InChI
InChI=1S/C14H17BO2S/c1-13(2)14(3,4)17-15(16-13)11-6-5-7-12-10(11)8-9-18-12/h5-9H,1-4H3
InChIKey
KQTHIDLDBILMSE-UHFFFAOYSA-N
Compound name
2-(1-benzothiophen-4-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

24
Patents

260.10422 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 261.11150 153.2
[M+Na]+ 283.09344 166.5
[M+NH4]+ 278.13804 166.1
[M+K]+ 299.06738 158.0
[M-H]- 259.09694 160.2
[M+Na-2H]- 281.07889 161.5
[M]+ 260.10367 158.2
[M]- 260.10477 158.2
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