CID 163397206

Ethyl 3-bromo-7-chlorothieno(3,2-b)pyridine-6-carboxylate

Structural Information

Molecular Formula
C10H7BrClNO2S
SMILES
CCOC(=O)C1=CN=C2C(=CSC2=C1Cl)Br
InChI
InChI=1S/C10H7BrClNO2S/c1-2-15-10(14)5-3-13-8-6(11)4-16-9(8)7(5)12/h3-4H,2H2,1H3
InChIKey
POWBOSPCJHMTSM-UHFFFAOYSA-N
Compound name
ethyl 3-bromo-7-chlorothieno[3,2-b]pyridine-6-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

7
Patents

318.90695 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 319.91423 150.1
[M+Na]+ 341.89617 166.7
[M-H]- 317.89967 157.8
[M+NH4]+ 336.94077 172.4
[M+K]+ 357.87011 153.8
[M+H-H2O]+ 301.90421 151.9
[M+HCOO]- 363.90515 163.4
[M+CH3COO]- 377.92080 197.8
[M+Na-2H]- 339.88162 154.9
[M]+ 318.90640 177.1
[M]- 318.90750 177.1
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