CID 68515559

648904-93-2

Structural Information

Molecular Formula
C14H19BO4S
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=CC3=C(C=C2)S(=O)(=O)CC3
InChI
InChI=1S/C14H19BO4S/c1-13(2)14(3,4)19-15(18-13)11-5-6-12-10(9-11)7-8-20(12,16)17/h5-6,9H,7-8H2,1-4H3
InChIKey
FLZYMCSVFRVTBM-UHFFFAOYSA-N
Compound name
5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2,3-dihydro-1-benzothiophene 1,1-dioxide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

14
Patents

294.1097 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 295.11698 159.7
[M+Na]+ 317.09892 170.4
[M+NH4]+ 312.14352 172.0
[M+K]+ 333.07286 162.0
[M-H]- 293.10242 164.6
[M+Na-2H]- 315.08437 166.9
[M]+ 294.10915 163.6
[M]- 294.11025 163.6
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