CID 55111266

7-chloro-3-phenyl-1,2,3,4-tetrahydroisoquinoline hydrochloride

Structural Information

Molecular Formula
C15H14ClN
SMILES
C1C(NCC2=C1C=CC(=C2)Cl)C3=CC=CC=C3
InChI
InChI=1S/C15H14ClN/c16-14-7-6-12-9-15(17-10-13(12)8-14)11-4-2-1-3-5-11/h1-8,15,17H,9-10H2
InChIKey
YVATUSNBEIZRFD-UHFFFAOYSA-N
Compound name
7-chloro-3-phenyl-1,2,3,4-tetrahydroisoquinoline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

243.08148 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 244.08876 153.1
[M+Na]+ 266.07070 161.0
[M-H]- 242.07420 157.2
[M+NH4]+ 261.11530 170.2
[M+K]+ 282.04464 153.6
[M+H-H2O]+ 226.07874 145.6
[M+HCOO]- 288.07968 166.6
[M+CH3COO]- 302.09533 164.3
[M+Na-2H]- 264.05615 159.4
[M]+ 243.08093 150.0
[M]- 243.08203 150.0
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.