CID 154575249

2137611-58-4

Structural Information

Molecular Formula
C9H6ClNO2S
SMILES
COC(=O)C1=CC2=CN=CC(=C2S1)Cl
InChI
InChI=1S/C9H6ClNO2S/c1-13-9(12)7-2-5-3-11-4-6(10)8(5)14-7/h2-4H,1H3
InChIKey
IJOOSZPETHUFGM-UHFFFAOYSA-N
Compound name
methyl 7-chlorothieno[3,2-c]pyridine-2-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

226.98077 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 227.98805 143.8
[M+Na]+ 249.96999 158.2
[M+NH4]+ 245.01459 153.3
[M+K]+ 265.94393 150.9
[M-H]- 225.97349 145.7
[M+Na-2H]- 247.95544 149.9
[M]+ 226.98022 147.2
[M]- 226.98132 147.2
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

No patent data available for this compound.