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]+ 244.088756 153.1
[M+Na]+ 266.070698 161.0
[M-H]- 242.074204 157.2
[M+NH4]+ 261.115303 170.2
[M+K]+ 282.044638 153.6
[M+H-H2O]+ 226.078740 145.6
[M+HCOO]- 288.079681 166.6
[M+CH3COO]- 302.095331 164.3
[M+Na-2H]- 264.056146 159.4
[M]+ 243.08093142 150.0
[M]- 243.08202858 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.