CID 12595079

73075-50-0

Structural Information

Molecular Formula
C9H9Cl2N
SMILES
C1CNCC2=C1C=C(C=C2Cl)Cl
InChI
InChI=1S/C9H9Cl2N/c10-7-3-6-1-2-12-5-8(6)9(11)4-7/h3-4,12H,1-2,5H2
InChIKey
HRGNUIZWSIKGMT-UHFFFAOYSA-N
Compound name
6,8-dichloro-1,2,3,4-tetrahydroisoquinoline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

5
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 137.8
[M+Na]+ 224.00042 147.1
[M-H]- 200.00392 138.5
[M+NH4]+ 219.04502 157.5
[M+K]+ 239.97436 140.7
[M+H-H2O]+ 184.00846 133.1
[M+HCOO]- 246.00940 146.8
[M+CH3COO]- 260.02505 149.8
[M+Na-2H]- 221.98587 144.0
[M]+ 201.01065 136.0
[M]- 201.01175 136.0
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