CID 1990440

Ethyl 2-amino-4-(2-chlorophenyl)thiophene-3-carboxylate

Structural Information

Molecular Formula
C13H12ClNO2S
SMILES
CCOC(=O)C1=C(SC=C1C2=CC=CC=C2Cl)N
InChI
InChI=1S/C13H12ClNO2S/c1-2-17-13(16)11-9(7-18-12(11)15)8-5-3-4-6-10(8)14/h3-7H,2,15H2,1H3
InChIKey
DDLXYLVCBHLQAW-UHFFFAOYSA-N
Compound name
ethyl 2-amino-4-(2-chlorophenyl)thiophene-3-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

25
Patents

281.02774 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 282.03502 161.9
[M+Na]+ 304.01696 171.8
[M-H]- 280.02046 169.3
[M+NH4]+ 299.06156 181.1
[M+K]+ 319.99090 166.2
[M+H-H2O]+ 264.02500 156.5
[M+HCOO]- 326.02594 177.7
[M+CH3COO]- 340.04159 197.4
[M+Na-2H]- 302.00241 160.9
[M]+ 281.02719 166.8
[M]- 281.02829 166.8
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

patents stripe