CID 521808

Ethyl 5-chlorothiophene-2-carboxylate

Structural Information

Molecular Formula
C7H7ClO2S
SMILES
CCOC(=O)C1=CC=C(S1)Cl
InChI
InChI=1S/C7H7ClO2S/c1-2-10-7(9)5-3-4-6(8)11-5/h3-4H,2H2,1H3
InChIKey
BMOKMXXTOZFEIZ-UHFFFAOYSA-N
Compound name
ethyl 5-chlorothiophene-2-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

109
Patents

189.98553 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 190.992806 136.8
[M+Na]+ 212.974748 147.0
[M-H]- 188.978254 141.4
[M+NH4]+ 208.019353 160.0
[M+K]+ 228.948688 143.9
[M+H-H2O]+ 172.982790 133.0
[M+HCOO]- 234.983731 152.6
[M+CH3COO]- 248.999381 177.5
[M+Na-2H]- 210.960196 138.0
[M]+ 189.98498142 142.7
[M]- 189.98607858 142.7
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