CID 470443

Ethyl 4-(4-chlorophenyl)-1-methylpyrrole-3-carboxylate

Structural Information

Molecular Formula
C14H14ClNO2
SMILES
CCOC(=O)C1=CN(C=C1C2=CC=C(C=C2)Cl)C
InChI
InChI=1S/C14H14ClNO2/c1-3-18-14(17)13-9-16(2)8-12(13)10-4-6-11(15)7-5-10/h4-9H,3H2,1-2H3
InChIKey
VIZKYTWSYJYLHC-UHFFFAOYSA-N
Compound name
ethyl 4-(4-chlorophenyl)-1-methylpyrrole-3-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

263.07132 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 264.07860 157.8
[M+Na]+ 286.06054 167.9
[M-H]- 262.06404 163.8
[M+NH4]+ 281.10514 176.2
[M+K]+ 302.03448 163.2
[M+H-H2O]+ 246.06858 151.0
[M+HCOO]- 308.06952 176.7
[M+CH3COO]- 322.08517 195.1
[M+Na-2H]- 284.04599 159.5
[M]+ 263.07077 162.9
[M]- 263.07187 162.9
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.