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

21
Patents

256.9146 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 257.921876 136.8
[M+Na]+ 279.903818 152.1
[M-H]- 255.907324 143.1
[M+NH4]+ 274.948423 159.5
[M+K]+ 295.877758 140.4
[M+H-H2O]+ 239.911860 138.2
[M+HCOO]- 301.912801 153.7
[M+CH3COO]- 315.928451 153.1
[M+Na-2H]- 277.889266 143.0
[M]+ 256.91405142 159.4
[M]- 256.91514858 159.4
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