CID 22556490

2-bromo-4h-thieno[3,2-b]pyrrole-5-carboxylic acid

Structural Information

Molecular Formula
C7H4BrNO2S
SMILES
C1=C(NC2=C1SC(=C2)Br)C(=O)O
InChI
InChI=1S/C7H4BrNO2S/c8-6-2-3-5(12-6)1-4(9-3)7(10)11/h1-2,9H,(H,10,11)
InChIKey
OFYWMXKWLYRDTQ-UHFFFAOYSA-N
Compound name
2-bromo-4H-thieno[3,2-b]pyrrole-5-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

65
Patents

244.91461 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 245.92189 140.0
[M+Na]+ 267.90383 141.5
[M+NH4]+ 262.94843 144.6
[M+K]+ 283.87777 144.3
[M-H]- 243.90733 138.6
[M+Na-2H]- 265.88928 140.5
[M]+ 244.91406 138.8
[M]- 244.91516 138.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

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Patent stripe

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