CID 470437

Ethyl 4-(2,4-dichlorophenyl)-1h-pyrrole-3-carboxylate

Structural Information

Molecular Formula
C13H11Cl2NO2
SMILES
CCOC(=O)C1=CNC=C1C2=C(C=C(C=C2)Cl)Cl
InChI
InChI=1S/C13H11Cl2NO2/c1-2-18-13(17)11-7-16-6-10(11)9-4-3-8(14)5-12(9)15/h3-7,16H,2H2,1H3
InChIKey
HYBZAJVHGPFFML-UHFFFAOYSA-N
Compound name
ethyl 4-(2,4-dichlorophenyl)-1H-pyrrole-3-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

283.0167 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 284.02398 159.8
[M+Na]+ 306.00592 170.2
[M-H]- 282.00942 163.8
[M+NH4]+ 301.05052 177.1
[M+K]+ 321.97986 163.5
[M+H-H2O]+ 266.01396 154.0
[M+HCOO]- 328.01490 172.3
[M+CH3COO]- 342.03055 194.1
[M+Na-2H]- 303.99137 160.8
[M]+ 283.01615 163.7
[M]- 283.01725 163.7
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

No patent data available for this compound.