CID 13772111

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

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

10
Patents

198.00769 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 199.01497 130.4
[M+Na]+ 220.99691 142.0
[M-H]- 197.00041 133.4
[M+NH4]+ 216.04151 148.9
[M+K]+ 236.97085 135.8
[M+H-H2O]+ 181.00495 128.7
[M+HCOO]- 243.00589 154.7
[M+CH3COO]- 257.02154 173.1
[M+Na-2H]- 218.98236 140.8
[M]+ 198.00714 130.8
[M]- 198.00824 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

No patent data available for this compound.