CID 27620

P-fluoro-4-(1,2,3,4-tetrahydroisoquinolinyl)butyrophenone hydrochloride

Structural Information

Molecular Formula
C19H20FNO
SMILES
C1CN(CC2=CC=CC=C21)CCCC(=O)C3=CC=C(C=C3)F
InChI
InChI=1S/C19H20FNO/c20-18-9-7-16(8-10-18)19(22)6-3-12-21-13-11-15-4-1-2-5-17(15)14-21/h1-2,4-5,7-10H,3,6,11-14H2
InChIKey
NMALCZJKSYZTRE-UHFFFAOYSA-N
Compound name
4-(3,4-dihydro-1H-isoquinolin-2-yl)-1-(4-fluorophenyl)butan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

10
Patents

297.1529 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 298.16018 170.5
[M+Na]+ 320.14212 176.1
[M-H]- 296.14562 174.2
[M+NH4]+ 315.18672 184.8
[M+K]+ 336.11606 170.3
[M+H-H2O]+ 280.15016 160.2
[M+HCOO]- 342.15110 187.0
[M+CH3COO]- 356.16675 204.9
[M+Na-2H]- 318.12757 173.6
[M]+ 297.15235 167.3
[M]- 297.15345 167.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe