CID 46703109

Methyl 4-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)thiophene-2-carboxylate

Structural Information

Molecular Formula
C13H19BO4S
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=C(C=C(S2)C(=O)OC)C
InChI
InChI=1S/C13H19BO4S/c1-8-7-9(11(15)16-6)19-10(8)14-17-12(2,3)13(4,5)18-14/h7H,1-6H3
InChIKey
XTXMAAXJLZVVRQ-UHFFFAOYSA-N
Compound name
methyl 4-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

0
Patents

282.1097 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 283.11698 160.9
[M+Na]+ 305.09892 170.5
[M+NH4]+ 300.14352 171.0
[M+K]+ 321.07286 164.9
[M-H]- 281.10242 165.0
[M+Na-2H]- 303.08437 165.9
[M]+ 282.10915 164.2
[M]- 282.11025 164.2
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

No patent data available for this compound.