CID 18993716

Ethyl 2-bromo-4,5-dimethylthiophene-3-carboxylate

Structural Information

Molecular Formula

C₉H₁₁BrO₂S

SMILES

CCOC(=O)C1=C(SC(=C1C)C)Br

InChI

InChI=1S/C9H11BrO2S/c1-4-12-9(11)7-5(2)6(3)13-8(7)10/h4H2,1-3H3

InChIKey

LBKTXLZVYNVTPR-UHFFFAOYSA-N

Compound name

ethyl 2-bromo-4,5-dimethylthiophene-3-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 22
Patents: 261.9663 Da
Monoisotopic Mass: 3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	262.97358	142.8
[M+Na]+	284.95552	144.8
[M+NH4]+	280.00012	147.7
[M+K]+	300.92946	145.4
[M-H]-	260.95902	142.6
[M+Na-2H]-	282.94097	144.0
[M]+	261.96575	142.2
[M]-	261.96685	142.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe