CID 123940966

1643467-82-6

Structural Information

Molecular Formula
C12H19BO2S
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=C(C=C(S2)C)C
InChI
InChI=1S/C12H19BO2S/c1-8-7-9(2)16-10(8)13-14-11(3,4)12(5,6)15-13/h7H,1-6H3
InChIKey
AGHHRSXGOHENRR-UHFFFAOYSA-N
Compound name
2-(3,5-dimethylthiophen-2-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

8
Patents

238.11989 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 239.12717 145.4
[M+Na]+ 261.10911 156.5
[M-H]- 237.11261 154.9
[M+NH4]+ 256.15371 169.8
[M+K]+ 277.08305 156.6
[M+H-H2O]+ 221.11715 143.7
[M+HCOO]- 283.11809 162.8
[M+CH3COO]- 297.13374 191.2
[M+Na-2H]- 259.09456 147.3
[M]+ 238.11934 151.9
[M]- 238.12044 151.9
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