CID 216795

6-(4-chlorophenyl)-1-methyl-1h-pyrrolo[1,2-a]imidazole

Structural Information

Molecular Formula
C13H11ClN2
SMILES
CN1C=CN2C1=CC(=C2)C3=CC=C(C=C3)Cl
InChI
InChI=1S/C13H11ClN2/c1-15-6-7-16-9-11(8-13(15)16)10-2-4-12(14)5-3-10/h2-9H,1H3
InChIKey
IEIIWEQORZBHHJ-UHFFFAOYSA-N
Compound name
6-(4-chlorophenyl)-1-methylpyrrolo[1,2-a]imidazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

230.06108 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 231.068356 149.9
[M+Na]+ 253.050298 162.9
[M-H]- 229.053804 156.1
[M+NH4]+ 248.094903 171.2
[M+K]+ 269.024238 156.8
[M+H-H2O]+ 213.058340 142.7
[M+HCOO]- 275.059281 170.1
[M+CH3COO]- 289.074931 164.3
[M+Na-2H]- 251.035746 153.9
[M]+ 230.06053142 154.7
[M]- 230.06162858 154.7
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.