CID 62373913

5,7-dichloro-1-ethyl-1,2,3,4-tetrahydroisoquinoline

Structural Information

Molecular Formula
C11H13Cl2N
SMILES
CCC1C2=C(CCN1)C(=CC(=C2)Cl)Cl
InChI
InChI=1S/C11H13Cl2N/c1-2-11-9-5-7(12)6-10(13)8(9)3-4-14-11/h5-6,11,14H,2-4H2,1H3
InChIKey
KUWKEOHHGSOBMB-UHFFFAOYSA-N
Compound name
5,7-dichloro-1-ethyl-1,2,3,4-tetrahydroisoquinoline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

229.04251 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 230.049786 147.0
[M+Na]+ 252.031728 156.5
[M-H]- 228.035234 147.8
[M+NH4]+ 247.076333 165.9
[M+K]+ 268.005668 149.6
[M+H-H2O]+ 212.039770 142.2
[M+HCOO]- 274.040711 155.4
[M+CH3COO]- 288.056361 158.6
[M+Na-2H]- 250.017176 151.5
[M]+ 229.04196142 146.3
[M]- 229.04305858 146.3
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.