CID 91825942

161395-82-0

Structural Information

Molecular Formula
C12H17BO2S
SMILES
B1(OC(C(O1)(C)C)(C)C)/C=C/C2=CC=CS2
InChI
InChI=1S/C12H17BO2S/c1-11(2)12(3,4)15-13(14-11)8-7-10-6-5-9-16-10/h5-9H,1-4H3/b8-7+
InChIKey
QOJNLKBIEIAQIW-BQYQJAHWSA-N
Compound name
4,4,5,5-tetramethyl-2-[(E)-2-thiophen-2-ylethenyl]-1,3,2-dioxaborolane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

236.10423 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 237.11151 151.0
[M+Na]+ 259.09345 161.6
[M+NH4]+ 254.13805 162.6
[M+K]+ 275.06739 153.9
[M-H]- 235.09695 156.4
[M+Na-2H]- 257.07890 157.7
[M]+ 236.10368 154.9
[M]- 236.10478 154.9
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

No patent data available for this compound.