CID 43155504

Methyl 3-amino-5-(3,5-dichlorophenyl)thiophene-2-carboxylate

Structural Information

Molecular Formula
C12H9Cl2NO2S
SMILES
COC(=O)C1=C(C=C(S1)C2=CC(=CC(=C2)Cl)Cl)N
InChI
InChI=1S/C12H9Cl2NO2S/c1-17-12(16)11-9(15)5-10(18-11)6-2-7(13)4-8(14)3-6/h2-5H,15H2,1H3
InChIKey
VGQDEFVTYMTIJR-UHFFFAOYSA-N
Compound name
methyl 3-amino-5-(3,5-dichlorophenyl)thiophene-2-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

300.9731 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 301.98038 164.6
[M+Na]+ 323.96232 178.2
[M+NH4]+ 319.00692 173.5
[M+K]+ 339.93626 170.5
[M-H]- 299.96582 168.5
[M+Na-2H]- 321.94777 170.8
[M]+ 300.97255 168.7
[M]- 300.97365 168.7
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

No patent data available for this compound.