CID 123920

7,8-dichloro-1,2,3,4-tetrahydroisoquinoline

Structural Information

Molecular Formula
C9H9Cl2N
SMILES
C1CNCC2=C1C=CC(=C2Cl)Cl
InChI
InChI=1S/C9H9Cl2N/c10-8-2-1-6-3-4-12-5-7(6)9(8)11/h1-2,12H,3-5H2
InChIKey
WFPUBEDBBOGGIQ-UHFFFAOYSA-N
Compound name
7,8-dichloro-1,2,3,4-tetrahydroisoquinoline
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

79
References

64
Patents

201.0112 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 202.01848 137.1
[M+Na]+ 224.00042 152.6
[M+NH4]+ 219.04502 147.7
[M+K]+ 239.97436 143.8
[M-H]- 200.00392 140.0
[M+Na-2H]- 221.98587 144.3
[M]+ 201.01065 140.8
[M]- 201.01175 140.8
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