CID 71755633

6-fluoro-7-nitro-3,4-dihydro-2h-1,4-benzoxazin-3-one

Structural Information

Molecular Formula
C8H5FN2O4
SMILES
C1C(=O)NC2=CC(=C(C=C2O1)[N+](=O)[O-])F
InChI
InChI=1S/C8H5FN2O4/c9-4-1-5-7(2-6(4)11(13)14)15-3-8(12)10-5/h1-2H,3H2,(H,10,12)
InChIKey
STDKYNXGCODEDD-UHFFFAOYSA-N
Compound name
6-fluoro-7-nitro-4H-1,4-benzoxazin-3-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

212.02333 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 213.03061 136.9
[M+Na]+ 235.01255 145.2
[M-H]- 211.01605 138.6
[M+NH4]+ 230.05715 152.6
[M+K]+ 250.98649 139.3
[M+H-H2O]+ 195.02059 134.2
[M+HCOO]- 257.02153 155.8
[M+CH3COO]- 271.03718 177.2
[M+Na-2H]- 232.99800 146.2
[M]+ 212.02278 132.8
[M]- 212.02388 132.8
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.