CID 12595083

5-chloro-1,2,3,4-tetrahydroisoquinoline

Structural Information

Molecular Formula
C9H10ClN
SMILES
C1CNCC2=C1C(=CC=C2)Cl
InChI
InChI=1S/C9H10ClN/c10-9-3-1-2-7-6-11-5-4-8(7)9/h1-3,11H,4-6H2
InChIKey
OHOZWCJUZQXMAW-UHFFFAOYSA-N
Compound name
5-chloro-1,2,3,4-tetrahydroisoquinoline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

168
Patents

167.05017 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 168.05745 131.9
[M+Na]+ 190.03939 140.1
[M-H]- 166.04289 133.1
[M+NH4]+ 185.08399 152.4
[M+K]+ 206.01333 134.9
[M+H-H2O]+ 150.04743 126.5
[M+HCOO]- 212.04837 146.1
[M+CH3COO]- 226.06402 144.5
[M+Na-2H]- 188.02484 139.8
[M]+ 167.04962 128.7
[M]- 167.05072 128.7
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.