CID 84679327

8-chloro-5-nitro-1,2,3,4-tetrahydroisoquinoline hydrochloride

Structural Information

Molecular Formula
C9H9ClN2O2
SMILES
C1CNCC2=C(C=CC(=C21)[N+](=O)[O-])Cl
InChI
InChI=1S/C9H9ClN2O2/c10-8-1-2-9(12(13)14)6-3-4-11-5-7(6)8/h1-2,11H,3-5H2
InChIKey
ZZLGMXMGXLVCSE-UHFFFAOYSA-N
Compound name
8-chloro-5-nitro-1,2,3,4-tetrahydroisoquinoline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

12
Patents

212.03525 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 213.04253 140.8
[M+Na]+ 235.02447 148.0
[M-H]- 211.02797 142.1
[M+NH4]+ 230.06907 158.5
[M+K]+ 250.99841 139.5
[M+H-H2O]+ 195.03251 139.9
[M+HCOO]- 257.03345 156.1
[M+CH3COO]- 271.04910 176.8
[M+Na-2H]- 233.00992 148.9
[M]+ 212.03470 137.0
[M]- 212.03580 137.0
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

patents stripe