CID 16640112

3-chlorothieno[2,3-b]pyridine-2-carboxylic acid

Structural Information

Molecular Formula
C8H4ClNO2S
SMILES
C1=CC2=C(N=C1)SC(=C2Cl)C(=O)O
InChI
InChI=1S/C8H4ClNO2S/c9-5-4-2-1-3-10-7(4)13-6(5)8(11)12/h1-3H,(H,11,12)
InChIKey
UYYCHKKPKUVKIW-UHFFFAOYSA-N
Compound name
3-chlorothieno[2,3-b]pyridine-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

212.96513 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 213.97241 138.0
[M+Na]+ 235.95435 150.7
[M-H]- 211.95785 141.5
[M+NH4]+ 230.99895 159.6
[M+K]+ 251.92829 145.8
[M+H-H2O]+ 195.96239 134.0
[M+HCOO]- 257.96333 152.2
[M+CH3COO]- 271.97898 152.4
[M+Na-2H]- 233.93980 141.9
[M]+ 212.96458 144.0
[M]- 212.96568 144.0
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