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

41
Patents

284.94592 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 285.95320 145.6
[M+Na]+ 307.93514 160.6
[M-H]- 283.93864 153.0
[M+NH4]+ 302.97974 168.1
[M+K]+ 323.90908 149.4
[M+H-H2O]+ 267.94318 146.5
[M+HCOO]- 329.94412 163.3
[M+CH3COO]- 343.95977 193.3
[M+Na-2H]- 305.92059 151.2
[M]+ 284.94537 170.5
[M]- 284.94647 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