CID 125180495

Methyl 4-(tetramethyl-1,3,2-dioxaborolan-2-yl)-1-benzothiophene-2-carboxylate

Structural Information

Molecular Formula
C16H19BO4S
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=C3C=C(SC3=CC=C2)C(=O)OC
InChI
InChI=1S/C16H19BO4S/c1-15(2)16(3,4)21-17(20-15)11-7-6-8-12-10(11)9-13(22-12)14(18)19-5/h6-9H,1-5H3
InChIKey
VHSUKWIAYQXDAK-UHFFFAOYSA-N
Compound name
methyl 4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1-benzothiophene-2-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

318.1097 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 319.11698 168.2
[M+Na]+ 341.09892 180.1
[M+NH4]+ 336.14352 179.2
[M+K]+ 357.07286 173.1
[M-H]- 317.10242 173.6
[M+Na-2H]- 339.08437 174.7
[M]+ 318.10915 172.4
[M]- 318.11025 172.4
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

No patent data available for this compound.