CID 130048765

Methyl 4-chloro-3-methylthieno[3,2-c]pyridine-2-carboxylate

Structural Information

Molecular Formula
C10H8ClNO2S
SMILES
CC1=C(SC2=C1C(=NC=C2)Cl)C(=O)OC
InChI
InChI=1S/C10H8ClNO2S/c1-5-7-6(3-4-12-9(7)11)15-8(5)10(13)14-2/h3-4H,1-2H3
InChIKey
QEMANMACWZWYLO-UHFFFAOYSA-N
Compound name
methyl 4-chloro-3-methylthieno[3,2-c]pyridine-2-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

240.99643 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 242.00371 147.0
[M+Na]+ 263.98565 160.2
[M-H]- 239.98915 152.0
[M+NH4]+ 259.03025 168.6
[M+K]+ 279.95959 155.7
[M+H-H2O]+ 223.99369 142.5
[M+HCOO]- 285.99463 162.0
[M+CH3COO]- 300.01028 188.4
[M+Na-2H]- 261.97110 149.6
[M]+ 240.99588 155.8
[M]- 240.99698 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

No literature data available for this compound.

Patent stripe

No patent data available for this compound.