CID 335290

Nsc343758

Structural Information

Molecular Formula
C8H6N2O5
SMILES
C1=CC2=C(C(=C1)[N+](=O)[O-])OC(=O)NC2O
InChI
InChI=1S/C8H6N2O5/c11-7-4-2-1-3-5(10(13)14)6(4)15-8(12)9-7/h1-3,7,11H,(H,9,12)
InChIKey
QWLTXKMLYXNKQL-UHFFFAOYSA-N
Compound name
4-hydroxy-8-nitro-3,4-dihydro-1,3-benzoxazin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

210.02766 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 211.03494 137.1
[M+Na]+ 233.01688 144.8
[M-H]- 209.02038 138.8
[M+NH4]+ 228.06148 152.1
[M+K]+ 248.99082 139.0
[M+H-H2O]+ 193.02492 135.4
[M+HCOO]- 255.02586 155.7
[M+CH3COO]- 269.04151 174.2
[M+Na-2H]- 231.00233 146.8
[M]+ 210.02711 133.7
[M]- 210.02821 133.7
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.