CID 12142380

376584-76-8

Structural Information

Molecular Formula
C14H17BO2S
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=CC3=CC=CC=C3S2
InChI
InChI=1S/C14H17BO2S/c1-13(2)14(3,4)17-15(16-13)12-9-10-7-5-6-8-11(10)18-12/h5-9H,1-4H3
InChIKey
RQIATWFGYKTVCM-UHFFFAOYSA-N
Compound name
2-(1-benzothiophen-2-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

115
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

literature stripe

Patent stripe

patents stripe