CID 3021782

1h-pyrrole, 2-(4-cyclohexylphenyl)-1-(4-fluorophenyl)-5-methyl-

Structural Information

Molecular Formula
C23H24FN
SMILES
CC1=CC=C(N1C2=CC=C(C=C2)F)C3=CC=C(C=C3)C4CCCCC4
InChI
InChI=1S/C23H24FN/c1-17-7-16-23(25(17)22-14-12-21(24)13-15-22)20-10-8-19(9-11-20)18-5-3-2-4-6-18/h7-16,18H,2-6H2,1H3
InChIKey
CFNSAYPQYFGUGK-UHFFFAOYSA-N
Compound name
2-(4-cyclohexylphenyl)-1-(4-fluorophenyl)-5-methylpyrrole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

333.18927 Da
Monoisotopic Mass

7.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 334.19655 181.7
[M+Na]+ 356.17849 187.6
[M-H]- 332.18199 191.1
[M+NH4]+ 351.22309 195.2
[M+K]+ 372.15243 180.3
[M+H-H2O]+ 316.18653 170.4
[M+HCOO]- 378.18747 199.6
[M+CH3COO]- 392.20312 191.5
[M+Na-2H]- 354.16394 179.9
[M]+ 333.18872 176.0
[M]- 333.18982 176.0
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.