CID 11217835

5-fluoro-6-nitro-2,3-dihydro-1,3-benzoxazol-2-one

Structural Information

Molecular Formula
C7H3FN2O4
SMILES
C1=C2C(=CC(=C1F)[N+](=O)[O-])OC(=O)N2
InChI
InChI=1S/C7H3FN2O4/c8-3-1-4-6(14-7(11)9-4)2-5(3)10(12)13/h1-2H,(H,9,11)
InChIKey
OYLSATYIXHNQKT-UHFFFAOYSA-N
Compound name
5-fluoro-6-nitro-3H-1,3-benzoxazol-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

13
Patents

198.00769 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 199.014966 130.4
[M+Na]+ 220.996908 142.0
[M-H]- 197.000414 133.4
[M+NH4]+ 216.041513 148.9
[M+K]+ 236.970848 135.8
[M+H-H2O]+ 181.004950 128.7
[M+HCOO]- 243.005891 154.7
[M+CH3COO]- 257.021541 173.1
[M+Na-2H]- 218.982356 140.8
[M]+ 198.00714142 130.8
[M]- 198.00823858 130.8
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