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

38
Patents

196.02843 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 197.03571 134.3
[M+Na]+ 219.01765 143.5
[M-H]- 195.02115 135.7
[M+NH4]+ 214.06225 153.9
[M+K]+ 234.99159 136.2
[M+H-H2O]+ 179.02569 132.6
[M+HCOO]- 241.02663 156.1
[M+CH3COO]- 255.04228 174.4
[M+Na-2H]- 217.00310 141.3
[M]+ 196.02788 130.2
[M]- 196.02898 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