CID 71042699

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

Structural Information

Molecular Formula
C8H4BrNO2S
SMILES
C1=C2C=C(SC2=NC=C1Br)C(=O)O
InChI
InChI=1S/C8H4BrNO2S/c9-5-1-4-2-6(8(11)12)13-7(4)10-3-5/h1-3H,(H,11,12)
InChIKey
PNXKVMHKFZDENP-UHFFFAOYSA-N
Compound name
5-bromothieno[2,3-b]pyridine-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

20
Patents

256.9146 Da
Monoisotopic Mass

2.8
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.

Patent stripe

patents stripe