CID 57659686

912846-66-3

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

17
Patents

196.0648 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 197.072076 136.1
[M+Na]+ 219.054018 143.0
[M-H]- 195.057524 136.5
[M+NH4]+ 214.098623 153.7
[M+K]+ 235.027958 135.5
[M+H-H2O]+ 179.062060 133.5
[M+HCOO]- 241.063001 155.1
[M+CH3COO]- 255.078651 175.6
[M+Na-2H]- 217.039466 144.4
[M]+ 196.06425142 129.3
[M]- 196.06534858 129.3
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