CID 16205970

94107-60-5

Structural Information

Molecular Formula
C8H6N2O4
SMILES
C1C2=C(C=CC(=C2)[N+](=O)[O-])NC(=O)O1
InChI
InChI=1S/C8H6N2O4/c11-8-9-7-2-1-6(10(12)13)3-5(7)4-14-8/h1-3H,4H2,(H,9,11)
InChIKey
NLLUNRCIKRPYMQ-UHFFFAOYSA-N
Compound name
6-nitro-1,4-dihydro-3,1-benzoxazin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

20
Patents

194.03276 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 195.040036 134.2
[M+Na]+ 217.021978 141.6
[M-H]- 193.025484 136.9
[M+NH4]+ 212.066583 150.4
[M+K]+ 232.995918 136.2
[M+H-H2O]+ 177.030020 132.3
[M+HCOO]- 239.030961 154.2
[M+CH3COO]- 253.046611 173.3
[M+Na-2H]- 215.007426 144.8
[M]+ 194.03221142 130.8
[M]- 194.03330858 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