CID 24212692

Dimethyl 1-(2-chlorophenyl)-2-methyl-1h-pyrrole-3,4-dicarboxylate

Structural Information

Molecular Formula
C15H14ClNO4
SMILES
CC1=C(C(=CN1C2=CC=CC=C2Cl)C(=O)OC)C(=O)OC
InChI
InChI=1S/C15H14ClNO4/c1-9-13(15(19)21-3)10(14(18)20-2)8-17(9)12-7-5-4-6-11(12)16/h4-8H,1-3H3
InChIKey
BOVDPKKMISPKGZ-UHFFFAOYSA-N
Compound name
dimethyl 1-(2-chlorophenyl)-2-methylpyrrole-3,4-dicarboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

307.06113 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 308.06841 165.8
[M+Na]+ 330.05035 176.1
[M-H]- 306.05385 172.3
[M+NH4]+ 325.09495 182.5
[M+K]+ 346.02429 172.5
[M+H-H2O]+ 290.05839 159.3
[M+HCOO]- 352.05933 184.0
[M+CH3COO]- 366.07498 202.9
[M+Na-2H]- 328.03580 165.5
[M]+ 307.06058 173.2
[M]- 307.06168 173.2
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.