CID 12595071

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

Structural Information

Molecular Formula
C9H10ClN
SMILES
C1CNCC2=C1C=CC=C2Cl
InChI
InChI=1S/C9H10ClN/c10-9-3-1-2-7-4-5-11-6-8(7)9/h1-3,11H,4-6H2
InChIKey
HQSAGIBNZOOQQL-UHFFFAOYSA-N
Compound name
8-chloro-1,2,3,4-tetrahydroisoquinoline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

87
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

literature stripe

Patent stripe

patents stripe