CID 22556498

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

Structural Information

Molecular Formula
C7H4BrNO2S
SMILES
C1=C(NC2=C1SC=C2Br)C(=O)O
InChI
InChI=1S/C7H4BrNO2S/c8-3-2-12-5-1-4(7(10)11)9-6(3)5/h1-2,9H,(H,10,11)
InChIKey
WQGQGYADKDKACG-UHFFFAOYSA-N
Compound name
3-bromo-4H-thieno[3,2-b]pyrrole-5-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

57
Patents

244.91461 Da
Monoisotopic Mass

2.4
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

No literature data available for this compound.

Patent stripe

patents stripe