CID 3021798

1h-pyrrole, 1,2-bis(4-chlorophenyl)-5-(4-cyclohexylphenyl)-

Structural Information

Molecular Formula
C28H25Cl2N
SMILES
C1CCC(CC1)C2=CC=C(C=C2)C3=CC=C(N3C4=CC=C(C=C4)Cl)C5=CC=C(C=C5)Cl
InChI
InChI=1S/C28H25Cl2N/c29-24-12-10-23(11-13-24)28-19-18-27(31(28)26-16-14-25(30)15-17-26)22-8-6-21(7-9-22)20-4-2-1-3-5-20/h6-20H,1-5H2
InChIKey
XYYWDRNWECMQIM-UHFFFAOYSA-N
Compound name
1,2-bis(4-chlorophenyl)-5-(4-cyclohexylphenyl)pyrrole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

445.1364 Da
Monoisotopic Mass

9.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 446.14368 212.4
[M+Na]+ 468.12562 219.3
[M-H]- 444.12912 224.3
[M+NH4]+ 463.17022 222.1
[M+K]+ 484.09956 208.7
[M+H-H2O]+ 428.13366 200.2
[M+HCOO]- 490.13460 220.7
[M+CH3COO]- 504.15025 220.0
[M+Na-2H]- 466.11107 208.0
[M]+ 445.13585 211.0
[M]- 445.13695 211.0
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.