CID 154814369

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

Structural Information

Molecular Formula
C13H18BBrO4S
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=C(C(=C(S2)C(=O)OC)Br)C
InChI
InChI=1S/C13H18BBrO4S/c1-7-8(15)9(11(16)17-6)20-10(7)14-18-12(2,3)13(4,5)19-14/h1-6H3
InChIKey
BOOBGVLPHJLMJS-UHFFFAOYSA-N
Compound name
methyl 3-bromo-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

360.02023 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 361.02751 168.3
[M+Na]+ 383.00945 169.0
[M+NH4]+ 378.05405 174.3
[M+K]+ 398.98339 169.6
[M-H]- 359.01295 170.5
[M+Na-2H]- 380.99490 169.8
[M]+ 360.01968 168.5
[M]- 360.02078 168.5
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.