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]+ 372.136976 188.8
[M+Na]+ 394.118918 197.0
[M-H]- 370.122424 192.3
[M+NH4]+ 389.163523 200.1
[M+K]+ 410.092858 188.4
[M+H-H2O]+ 354.126960 174.7
[M+HCOO]- 416.127901 201.0
[M+CH3COO]- 430.143551 197.0
[M+Na-2H]- 392.104366 190.8
[M]+ 371.12915142 180.8
[M]- 371.13024858 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.