CID 131407139

Methyl 5-amino-4-bromo-1-benzothiophene-2-carboxylate

Structural Information

Molecular Formula
C10H8BrNO2S
SMILES
COC(=O)C1=CC2=C(S1)C=CC(=C2Br)N
InChI
InChI=1S/C10H8BrNO2S/c1-14-10(13)8-4-5-7(15-8)3-2-6(12)9(5)11/h2-4H,12H2,1H3
InChIKey
LGYYXHJRIJUKIR-UHFFFAOYSA-N
Compound name
methyl 5-amino-4-bromo-1-benzothiophene-2-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

284.94592 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 285.95320 144.0
[M+Na]+ 307.93514 146.8
[M+NH4]+ 302.97974 149.3
[M+K]+ 323.90908 147.3
[M-H]- 283.93864 145.0
[M+Na-2H]- 305.92059 146.6
[M]+ 284.94537 143.8
[M]- 284.94647 143.8
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.