CID 12605958

Ethyl 5-chloro-4-methylthiophene-2-carboxylate

Structural Information

Molecular Formula
C8H9ClO2S
SMILES
CCOC(=O)C1=CC(=C(S1)Cl)C
InChI
InChI=1S/C8H9ClO2S/c1-3-11-8(10)6-4-5(2)7(9)12-6/h4H,3H2,1-2H3
InChIKey
XZTXAKUKHNXJQJ-UHFFFAOYSA-N
Compound name
ethyl 5-chloro-4-methylthiophene-2-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

204.00117 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 205.00845 142.0
[M+Na]+ 226.99039 153.7
[M+NH4]+ 222.03499 151.0
[M+K]+ 242.96433 147.3
[M-H]- 202.99389 143.3
[M+Na-2H]- 224.97584 146.2
[M]+ 204.00062 144.7
[M]- 204.00172 144.7
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