CID 4096595

24943-28-0

Structural Information

Molecular Formula
C14H9NO5
SMILES
C1=CC2=C(C3C=CC2C4C3C(=O)OC4=O)C(=C1)[N+](=O)[O-]
InChI
InChI=1S/C14H9NO5/c16-13-11-7-4-5-8(12(11)14(17)20-13)10-6(7)2-1-3-9(10)15(18)19/h1-5,7-8,11-12H
InChIKey
GJFSSZJTVUJQDH-UHFFFAOYSA-N
Compound name
3-nitro-11-oxatetracyclo[6.5.2.02,7.09,13]pentadeca-2(7),3,5,14-tetraene-10,12-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

271.04807 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 272.05535 146.9
[M+Na]+ 294.03729 159.9
[M+NH4]+ 289.08189 156.9
[M+K]+ 310.01123 158.4
[M-H]- 270.04079 150.0
[M+Na-2H]- 292.02274 146.3
[M]+ 271.04752 149.5
[M]- 271.04862 149.5
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