CID 84019008

6-bromothieno[2,3-b]pyridine-2-carboxylic acid

Structural Information

Molecular Formula
C8H4BrNO2S
SMILES
C1=CC(=NC2=C1C=C(S2)C(=O)O)Br
InChI
InChI=1S/C8H4BrNO2S/c9-6-2-1-4-3-5(8(11)12)13-7(4)10-6/h1-3H,(H,11,12)
InChIKey
HMZCOZKCHKWVOA-UHFFFAOYSA-N
Compound name
6-bromothieno[2,3-b]pyridine-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

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References

0
Patents

256.9146 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 257.92188 135.8
[M+Na]+ 279.90382 139.4
[M+NH4]+ 274.94842 141.0
[M+K]+ 295.87776 140.1
[M-H]- 255.90732 135.6
[M+Na-2H]- 277.88927 138.8
[M]+ 256.91405 135.4
[M]- 256.91515 135.4
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.

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No patent data available for this compound.