CID 24845168

91307-01-6

Structural Information

Molecular Formula
C28H20ClN
SMILES
C1=CC=C(C=C1)C2=CC=C(C=C2)C3=CC=C(N3C4=CC(=CC=C4)Cl)C5=CC=CC=C5
InChI
InChI=1S/C28H20ClN/c29-25-12-7-13-26(20-25)30-27(23-10-5-2-6-11-23)18-19-28(30)24-16-14-22(15-17-24)21-8-3-1-4-9-21/h1-20H
InChIKey
PVJMRHQLMUWRDM-UHFFFAOYSA-N
Compound name
1-(3-chlorophenyl)-2-phenyl-5-(4-phenylphenyl)pyrrole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

405.12842 Da
Monoisotopic Mass

7.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 406.13570 202.1
[M+Na]+ 428.11764 210.7
[M-H]- 404.12114 215.8
[M+NH4]+ 423.16224 212.8
[M+K]+ 444.09158 200.3
[M+H-H2O]+ 388.12568 189.9
[M+HCOO]- 450.12662 219.5
[M+CH3COO]- 464.14227 211.7
[M+Na-2H]- 426.10309 202.3
[M]+ 405.12787 202.8
[M]- 405.12897 202.8
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.