CID 45051082

853348-62-6

Structural Information

Molecular Formula
C24H22F3N2
SMILES
CC1=CC2=C(C=C1C)[N+](=CN2CC3=CC=C(C=C3)C(F)(F)F)CC4=CC=CC=C4
InChI
InChI=1S/C24H22F3N2/c1-17-12-22-23(13-18(17)2)29(16-28(22)14-19-6-4-3-5-7-19)15-20-8-10-21(11-9-20)24(25,26)27/h3-13,16H,14-15H2,1-2H3/q+1
InChIKey
ZSUUFQBOBPRAME-UHFFFAOYSA-N
Compound name
1-benzyl-5,6-dimethyl-3-[[4-(trifluoromethyl)phenyl]methyl]benzimidazol-1-ium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

395.17352 Da
Monoisotopic Mass

6.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 396.18080 200.6
[M+Na]+ 418.16274 211.1
[M-H]- 394.16624 205.8
[M+NH4]+ 413.20734 211.8
[M+K]+ 434.13668 196.7
[M+H-H2O]+ 378.17078 190.1
[M+HCOO]- 440.17172 216.5
[M+CH3COO]- 454.18737 217.2
[M+Na-2H]- 416.14819 203.8
[M]+ 395.17297 199.3
[M]- 395.17407 199.3
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.