CID 11789594

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

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

1
References

188
Patents

167.05017 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 168.057446 131.9
[M+Na]+ 190.039388 140.1
[M-H]- 166.042894 133.1
[M+NH4]+ 185.083993 152.4
[M+K]+ 206.013328 134.9
[M+H-H2O]+ 150.047430 126.5
[M+HCOO]- 212.048371 146.1
[M+CH3COO]- 226.064021 144.5
[M+Na-2H]- 188.024836 139.8
[M]+ 167.04962142 128.7
[M]- 167.05071858 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