CID 11993593

Methyl 5-(tetramethyl-1,3,2-dioxaborolan-2-yl)thiophene-2-carboxylate

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

66
Patents

268.09406 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 269.10134 153.6
[M+Na]+ 291.08328 163.3
[M-H]- 267.08678 162.7
[M+NH4]+ 286.12788 176.2
[M+K]+ 307.05722 164.5
[M+H-H2O]+ 251.09132 151.7
[M+HCOO]- 313.09226 170.5
[M+CH3COO]- 327.10791 193.5
[M+Na-2H]- 289.06873 155.4
[M]+ 268.09351 161.2
[M]- 268.09461 161.2
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