CID 119031061

Methyl 2-bromo-6h-thieno[2,3-b]pyrrole-5-carboxylate

Structural Information

Molecular Formula
C8H6BrNO2S
SMILES
COC(=O)C1=CC2=C(N1)SC(=C2)Br
InChI
InChI=1S/C8H6BrNO2S/c1-12-8(11)5-2-4-3-6(9)13-7(4)10-5/h2-3,10H,1H3
InChIKey
SORDGAKAVQODMJ-UHFFFAOYSA-N
Compound name
methyl 2-bromo-6H-thieno[2,3-b]pyrrole-5-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

258.93027 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 259.93755 143.0
[M+Na]+ 281.91949 158.6
[M-H]- 257.92299 149.6
[M+NH4]+ 276.96409 167.5
[M+K]+ 297.89343 147.5
[M+H-H2O]+ 241.92753 144.8
[M+HCOO]- 303.92847 160.7
[M+CH3COO]- 317.94412 185.7
[M+Na-2H]- 279.90494 146.5
[M]+ 258.92972 166.2
[M]- 258.93082 166.2
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.