CID 130684989

1422359-60-1

Structural Information

Molecular Formula
C8H5FN2O3
SMILES
C1C2=CC(=C(C=C2C(=O)N1)[N+](=O)[O-])F
InChI
InChI=1S/C8H5FN2O3/c9-6-1-4-3-10-8(12)5(4)2-7(6)11(13)14/h1-2H,3H2,(H,10,12)
InChIKey
HYEGCLIJGHBFTO-UHFFFAOYSA-N
Compound name
5-fluoro-6-nitro-2,3-dihydroisoindol-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

23
Patents

196.02843 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 197.035706 134.3
[M+Na]+ 219.017648 143.5
[M-H]- 195.021154 135.7
[M+NH4]+ 214.062253 153.9
[M+K]+ 234.991588 136.2
[M+H-H2O]+ 179.025690 132.6
[M+HCOO]- 241.026631 156.1
[M+CH3COO]- 255.042281 174.4
[M+Na-2H]- 217.003096 141.3
[M]+ 196.02788142 130.2
[M]- 196.02897858 130.2
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