CID 515932

Ethyl 1-(2,5-dichlorophenyl)sulfonylpyrrole-2-carboxylate

Structural Information

Molecular Formula
C13H11Cl2NO4S
SMILES
CCOC(=O)C1=CC=CN1S(=O)(=O)C2=C(C=CC(=C2)Cl)Cl
InChI
InChI=1S/C13H11Cl2NO4S/c1-2-20-13(17)11-4-3-7-16(11)21(18,19)12-8-9(14)5-6-10(12)15/h3-8H,2H2,1H3
InChIKey
GNEZPOXNIHEDFZ-UHFFFAOYSA-N
Compound name
ethyl 1-(2,5-dichlorophenyl)sulfonylpyrrole-2-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

346.97858 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 347.98586 172.7
[M+Na]+ 369.96780 183.9
[M-H]- 345.97130 179.2
[M+NH4]+ 365.01240 188.7
[M+K]+ 385.94174 178.4
[M+H-H2O]+ 329.97584 167.7
[M+HCOO]- 391.97678 181.0
[M+CH3COO]- 405.99243 203.1
[M+Na-2H]- 367.95325 172.7
[M]+ 346.97803 181.6
[M]- 346.97913 181.6
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.