CID 20821

5-nitroisatoic anhydride

Structural Information

Molecular Formula
C8H4N2O5
SMILES
C1=CC2=C(C=C1[N+](=O)[O-])C(=O)OC(=O)N2
InChI
InChI=1S/C8H4N2O5/c11-7-5-3-4(10(13)14)1-2-6(5)9-8(12)15-7/h1-3H,(H,9,12)
InChIKey
WWUBAHSWMPFIQZ-UHFFFAOYSA-N
Compound name
6-nitro-1H-3,1-benzoxazine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

384
Patents

208.01202 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 209.01930 135.2
[M+Na]+ 231.00124 150.2
[M+NH4]+ 226.04584 142.1
[M+K]+ 246.97518 148.3
[M-H]- 207.00474 138.4
[M+Na-2H]- 228.98669 140.8
[M]+ 208.01147 138.0
[M]- 208.01257 138.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe