CID 57659686

7-fluoro-6-nitro-1,2,3,4-tetrahydroisoquinoline hydrochloride

Structural Information

Molecular Formula
C9H9FN2O2
SMILES
C1CNCC2=CC(=C(C=C21)[N+](=O)[O-])F
InChI
InChI=1S/C9H9FN2O2/c10-8-3-7-5-11-2-1-6(7)4-9(8)12(13)14/h3-4,11H,1-2,5H2
InChIKey
HEKBRXZMLYKQRP-UHFFFAOYSA-N
Compound name
7-fluoro-6-nitro-1,2,3,4-tetrahydroisoquinoline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

18
Patents

196.0648 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 197.07208 134.6
[M+Na]+ 219.05402 147.2
[M+NH4]+ 214.09862 142.9
[M+K]+ 235.02796 143.7
[M-H]- 195.05752 136.5
[M+Na-2H]- 217.03947 139.9
[M]+ 196.06425 136.6
[M]- 196.06535 136.6
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