CID 5013174

1-(3-(trifluoromethyl)trityl)imidazole hydrochloride

Structural Information

Molecular Formula
C23H17F3N2
SMILES
C1=CC=C(C=C1)C(C2=CC=CC=C2)(C3=CC(=CC=C3)C(F)(F)F)N4C=CN=C4
InChI
InChI=1S/C23H17F3N2/c24-23(25,26)21-13-7-12-20(16-21)22(28-15-14-27-17-28,18-8-3-1-4-9-18)19-10-5-2-6-11-19/h1-17H
InChIKey
XXQXSLUGWUBGBQ-UHFFFAOYSA-N
Compound name
1-[diphenyl-[3-(trifluoromethyl)phenyl]methyl]imidazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

378.13437 Da
Monoisotopic Mass

5.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 379.14165 188.6
[M+Na]+ 401.12359 195.7
[M-H]- 377.12709 194.5
[M+NH4]+ 396.16819 198.2
[M+K]+ 417.09753 187.6
[M+H-H2O]+ 361.13163 174.9
[M+HCOO]- 423.13257 203.7
[M+CH3COO]- 437.14822 197.2
[M+Na-2H]- 399.10904 192.5
[M]+ 378.13382 183.3
[M]- 378.13492 183.3
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

patents stripe