CID 3024609

96719-44-7

Structural Information

Molecular Formula
C22H18F3N
SMILES
C1CN(C(C2=CC=CC=C21)C3=CC=CC=C3)C4=CC=CC(=C4)C(F)(F)F
InChI
InChI=1S/C22H18F3N/c23-22(24,25)18-10-6-11-19(15-18)26-14-13-16-7-4-5-12-20(16)21(26)17-8-2-1-3-9-17/h1-12,15,21H,13-14H2
InChIKey
MERSLHVVBXWHTM-UHFFFAOYSA-N
Compound name
1-phenyl-2-[3-(trifluoromethyl)phenyl]-3,4-dihydro-1H-isoquinoline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

353.13913 Da
Monoisotopic Mass

6.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 354.14641 184.7
[M+Na]+ 376.12835 191.9
[M-H]- 352.13185 189.1
[M+NH4]+ 371.17295 196.5
[M+K]+ 392.10229 183.8
[M+H-H2O]+ 336.13639 171.5
[M+HCOO]- 398.13733 198.0
[M+CH3COO]- 412.15298 193.2
[M+Na-2H]- 374.11380 188.1
[M]+ 353.13858 177.3
[M]- 353.13968 177.3
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.