CID 23344284

Ethyl 3-bromothieno[2,3-b]pyridine-2-carboxylate

Structural Information

Molecular Formula
C10H8BrNO2S
SMILES
CCOC(=O)C1=C(C2=C(S1)N=CC=C2)Br
InChI
InChI=1S/C10H8BrNO2S/c1-2-14-10(13)8-7(11)6-4-3-5-12-9(6)15-8/h3-5H,2H2,1H3
InChIKey
SFDIRKDBTVHEEY-UHFFFAOYSA-N
Compound name
ethyl 3-bromothieno[2,3-b]pyridine-2-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

43
Patents

284.94592 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 285.953196 145.6
[M+Na]+ 307.935138 160.6
[M-H]- 283.938644 153.0
[M+NH4]+ 302.979743 168.1
[M+K]+ 323.909078 149.4
[M+H-H2O]+ 267.943180 146.5
[M+HCOO]- 329.944121 163.3
[M+CH3COO]- 343.959771 193.3
[M+Na-2H]- 305.920586 151.2
[M]+ 284.94537142 170.5
[M]- 284.94646858 170.5
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