CID 13327900

2-(2'-chloro(1,1'-biphenyl)-4-yl)-1-(4-chlorophenyl)-5-methyl-1h-pyrrole

Structural Information

Molecular Formula
C23H17Cl2N
SMILES
CC1=CC=C(N1C2=CC=C(C=C2)Cl)C3=CC=C(C=C3)C4=CC=CC=C4Cl
InChI
InChI=1S/C23H17Cl2N/c1-16-6-15-23(26(16)20-13-11-19(24)12-14-20)18-9-7-17(8-10-18)21-4-2-3-5-22(21)25/h2-15H,1H3
InChIKey
UVCOTCIMJVILMC-UHFFFAOYSA-N
Compound name
1-(4-chlorophenyl)-2-[4-(2-chlorophenyl)phenyl]-5-methylpyrrole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

377.0738 Da
Monoisotopic Mass

7.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 378.08108 191.2
[M+Na]+ 400.06302 202.2
[M-H]- 376.06652 201.9
[M+NH4]+ 395.10762 204.7
[M+K]+ 416.03696 192.3
[M+H-H2O]+ 360.07106 181.3
[M+HCOO]- 422.07200 204.3
[M+CH3COO]- 436.08765 202.0
[M+Na-2H]- 398.04847 190.7
[M]+ 377.07325 195.0
[M]- 377.07435 195.0
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.