CID 10727139

1809018-61-8

Structural Information

Molecular Formula
C9H7FN2O3
SMILES
C1CNC(=O)C2=CC(=C(C=C21)F)[N+](=O)[O-]
InChI
InChI=1S/C9H7FN2O3/c10-7-3-5-1-2-11-9(13)6(5)4-8(7)12(14)15/h3-4H,1-2H2,(H,11,13)
InChIKey
QHGDIVMTVIOPDQ-UHFFFAOYSA-N
Compound name
6-fluoro-7-nitro-3,4-dihydro-2H-isoquinolin-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

99
Patents

210.04407 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 211.05135 138.1
[M+Na]+ 233.03329 146.0
[M-H]- 209.03679 138.9
[M+NH4]+ 228.07789 155.2
[M+K]+ 249.00723 138.5
[M+H-H2O]+ 193.04133 135.6
[M+HCOO]- 255.04227 157.4
[M+CH3COO]- 269.05792 177.9
[M+Na-2H]- 231.01874 145.9
[M]+ 210.04352 132.3
[M]- 210.04462 132.3
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