CID 3021783

1h-pyrrole, 2-(4-cyclohexylphenyl)-5-methyl-1-(3-(trifluoromethyl)phenyl)-

Structural Information

Molecular Formula
C24H24F3N
SMILES
CC1=CC=C(N1C2=CC=CC(=C2)C(F)(F)F)C3=CC=C(C=C3)C4CCCCC4
InChI
InChI=1S/C24H24F3N/c1-17-10-15-23(28(17)22-9-5-8-21(16-22)24(25,26)27)20-13-11-19(12-14-20)18-6-3-2-4-7-18/h5,8-16,18H,2-4,6-7H2,1H3
InChIKey
WEXLFTYBUPHQAK-UHFFFAOYSA-N
Compound name
2-(4-cyclohexylphenyl)-5-methyl-1-[3-(trifluoromethyl)phenyl]pyrrole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

383.1861 Da
Monoisotopic Mass

7.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 384.19338 193.2
[M+Na]+ 406.17532 199.3
[M-H]- 382.17882 200.0
[M+NH4]+ 401.21992 204.7
[M+K]+ 422.14926 191.3
[M+H-H2O]+ 366.18336 180.3
[M+HCOO]- 428.18430 206.9
[M+CH3COO]- 442.19995 201.4
[M+Na-2H]- 404.16077 190.4
[M]+ 383.18555 185.2
[M]- 383.18665 185.2
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.