CID 15565869

Ethyl 7-chlorothieno[3,2-b]pyridine-6-carboxylate

Structural Information

Molecular Formula
C10H8ClNO2S
SMILES
CCOC(=O)C1=CN=C2C=CSC2=C1Cl
InChI
InChI=1S/C10H8ClNO2S/c1-2-14-10(13)6-5-12-7-3-4-15-9(7)8(6)11/h3-5H,2H2,1H3
InChIKey
BMGRDHCUAJOXDZ-UHFFFAOYSA-N
Compound name
ethyl 7-chlorothieno[3,2-b]pyridine-6-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

78
Patents

240.99643 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 242.003706 147.4
[M+Na]+ 263.985648 159.8
[M-H]- 239.989154 152.1
[M+NH4]+ 259.030253 168.7
[M+K]+ 279.959588 155.3
[M+H-H2O]+ 223.993690 142.7
[M+HCOO]- 285.994631 162.5
[M+CH3COO]- 300.010281 187.3
[M+Na-2H]- 261.971096 150.7
[M]+ 240.99588142 155.8
[M]- 240.99697858 155.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe