CID 6481287

1-[(2,4-dichlorophenyl)-[4-[4-(trifluoromethyl)phenyl]-1h-pyrrol-3-yl]methyl]imidazole

Structural Information

Molecular Formula
C21H14Cl2F3N3
SMILES
C1=CC(=CC=C1C2=CNC=C2C(C3=C(C=C(C=C3)Cl)Cl)N4C=CN=C4)C(F)(F)F
InChI
InChI=1S/C21H14Cl2F3N3/c22-15-5-6-16(19(23)9-15)20(29-8-7-27-12-29)18-11-28-10-17(18)13-1-3-14(4-2-13)21(24,25)26/h1-12,20,28H
InChIKey
NBHPUKZRPYQEGR-UHFFFAOYSA-N
Compound name
1-[(2,4-dichlorophenyl)-[4-[4-(trifluoromethyl)phenyl]-1H-pyrrol-3-yl]methyl]imidazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

435.0517 Da
Monoisotopic Mass

5.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 436.05898 195.0
[M+Na]+ 458.04092 206.1
[M-H]- 434.04442 199.2
[M+NH4]+ 453.08552 204.5
[M+K]+ 474.01486 195.7
[M+H-H2O]+ 418.04896 181.9
[M+HCOO]- 480.04990 201.2
[M+CH3COO]- 494.06555 203.4
[M+Na-2H]- 456.02637 192.4
[M]+ 435.05115 195.4
[M]- 435.05225 195.4
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.