CID 104142

Einecs 257-819-3

Structural Information

Molecular Formula
C16H8N2O6
SMILES
C1NC2=C3C(=C(C=C2C(=O)O1)[N+](=O)[O-])C(=O)C4=CC=CC=C4C3=O
InChI
InChI=1S/C16H8N2O6/c19-14-7-3-1-2-4-8(7)15(20)12-11(14)10(18(22)23)5-9-13(12)17-6-24-16(9)21/h1-5,17H,6H2
InChIKey
RASPFILDTJZROS-UHFFFAOYSA-N
Compound name
6-nitro-1,2-dihydronaphtho[2,3-h][3,1]benzoxazine-4,7,12-trione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

324.03824 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 325.04552 165.2
[M+Na]+ 347.02746 173.2
[M-H]- 323.03096 169.7
[M+NH4]+ 342.07206 177.6
[M+K]+ 363.00140 165.6
[M+H-H2O]+ 307.03550 161.1
[M+HCOO]- 369.03644 180.3
[M+CH3COO]- 383.05209 202.2
[M+Na-2H]- 345.01291 174.4
[M]+ 324.03769 163.3
[M]- 324.03879 163.3
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.