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

2
Patents

258.93027 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 259.937546 143.0
[M+Na]+ 281.919488 158.6
[M-H]- 257.922994 149.6
[M+NH4]+ 276.964093 167.5
[M+K]+ 297.893428 147.5
[M+H-H2O]+ 241.927530 144.8
[M+HCOO]- 303.928471 160.7
[M+CH3COO]- 317.944121 185.7
[M+Na-2H]- 279.904936 146.5
[M]+ 258.92972142 166.2
[M]- 258.93081858 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

patents stripe