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

15
Patents

294.1097 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 295.11698 156.0
[M+Na]+ 317.09892 167.9
[M-H]- 293.10242 166.1
[M+NH4]+ 312.14352 180.7
[M+K]+ 333.07286 167.3
[M+H-H2O]+ 277.10696 154.4
[M+HCOO]- 339.10790 172.0
[M+CH3COO]- 353.12355 170.7
[M+Na-2H]- 315.08437 160.6
[M]+ 294.10915 163.0
[M]- 294.11025 163.0
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