CID 3078176

Brn 3566875

Structural Information

Molecular Formula
C15H10N2O6
SMILES
C1C2=C(C(C3=C(N2)COC3=O)C4=CC=C(C=C4)[N+](=O)[O-])C(=O)O1
InChI
InChI=1S/C15H10N2O6/c18-14-12-9(5-22-14)16-10-6-23-15(19)13(10)11(12)7-1-3-8(4-2-7)17(20)21/h1-4,11,16H,5-6H2
InChIKey
SKQQRHDUZFLRLI-UHFFFAOYSA-N
Compound name
8-(4-nitrophenyl)-5,11-dioxa-2-azatricyclo[7.3.0.03,7]dodeca-1(9),3(7)-diene-6,10-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

314.0539 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 315.06118 165.2
[M+Na]+ 337.04312 177.3
[M+NH4]+ 332.08772 171.9
[M+K]+ 353.01706 179.5
[M-H]- 313.04662 170.7
[M+Na-2H]- 335.02857 166.7
[M]+ 314.05335 168.1
[M]- 314.05445 168.1
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