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

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 136.1
[M+Na]+ 219.05402 143.0
[M-H]- 195.05752 136.5
[M+NH4]+ 214.09862 153.7
[M+K]+ 235.02796 135.5
[M+H-H2O]+ 179.06206 133.5
[M+HCOO]- 241.06300 155.1
[M+CH3COO]- 255.07865 175.6
[M+Na-2H]- 217.03947 144.4
[M]+ 196.06425 129.3
[M]- 196.06535 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