CID 71721052

Methyl 5-bromo-4-methoxythiophene-3-carboxylate

Structural Information

Molecular Formula
C7H7BrO3S
SMILES
COC1=C(SC=C1C(=O)OC)Br
InChI
InChI=1S/C7H7BrO3S/c1-10-5-4(7(9)11-2)3-12-6(5)8/h3H,1-2H3
InChIKey
OCCQKIJKMWFSDJ-UHFFFAOYSA-N
Compound name
methyl 5-bromo-4-methoxythiophene-3-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

249.92993 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 250.93721 138.2
[M+Na]+ 272.91915 152.0
[M-H]- 248.92265 145.7
[M+NH4]+ 267.96375 162.0
[M+K]+ 288.89309 142.0
[M+H-H2O]+ 232.92719 139.2
[M+HCOO]- 294.92813 156.6
[M+CH3COO]- 308.94378 187.1
[M+Na-2H]- 270.90460 141.5
[M]+ 249.92938 162.3
[M]- 249.93048 162.3
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.