CID 11993593

916138-13-1

Structural Information

Molecular Formula
C12H17BO4S
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=CC=C(S2)C(=O)OC
InChI
InChI=1S/C12H17BO4S/c1-11(2)12(3,4)17-13(16-11)9-7-6-8(18-9)10(14)15-5/h6-7H,1-5H3
InChIKey
LMWIOYXSRDMVLD-UHFFFAOYSA-N
Compound name
methyl 5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)thiophene-2-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

41
Patents

268.09406 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 269.10134 157.0
[M+Na]+ 291.08328 166.4
[M+NH4]+ 286.12788 167.3
[M+K]+ 307.05722 160.9
[M-H]- 267.08678 161.1
[M+Na-2H]- 289.06873 162.4
[M]+ 268.09351 160.2
[M]- 268.09461 160.2
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