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]+ 230.04979 147.0
[M+Na]+ 252.03173 156.5
[M-H]- 228.03523 147.8
[M+NH4]+ 247.07633 165.9
[M+K]+ 268.00567 149.6
[M+H-H2O]+ 212.03977 142.2
[M+HCOO]- 274.04071 155.4
[M+CH3COO]- 288.05636 158.6
[M+Na-2H]- 250.01718 151.5
[M]+ 229.04196 146.3
[M]- 229.04306 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.