CID 3024610

1,2,3,4-tetrahydro-1-(2-fluorophenyl)-2-(3-(trifluoromethyl)phenyl)isoquinoline

Structural Information

Molecular Formula
C22H17F4N
SMILES
C1CN(C(C2=CC=CC=C21)C3=CC=CC=C3F)C4=CC=CC(=C4)C(F)(F)F
InChI
InChI=1S/C22H17F4N/c23-20-11-4-3-10-19(20)21-18-9-2-1-6-15(18)12-13-27(21)17-8-5-7-16(14-17)22(24,25)26/h1-11,14,21H,12-13H2
InChIKey
QBRQMRMDTBMGAR-UHFFFAOYSA-N
Compound name
1-(2-fluorophenyl)-2-[3-(trifluoromethyl)phenyl]-3,4-dihydro-1H-isoquinoline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

371.1297 Da
Monoisotopic Mass

6.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 372.13698 188.8
[M+Na]+ 394.11892 197.0
[M-H]- 370.12242 192.3
[M+NH4]+ 389.16352 200.1
[M+K]+ 410.09286 188.4
[M+H-H2O]+ 354.12696 174.7
[M+HCOO]- 416.12790 201.0
[M+CH3COO]- 430.14355 197.0
[M+Na-2H]- 392.10437 190.8
[M]+ 371.12915 180.8
[M]- 371.13025 180.8
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.