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 148.5
[M+Na]+ 294.03729 154.3
[M-H]- 270.04079 152.1
[M+NH4]+ 289.08189 168.9
[M+K]+ 310.01123 148.6
[M+H-H2O]+ 254.04533 147.1
[M+HCOO]- 316.04627 163.2
[M+CH3COO]- 330.06192 198.3
[M+Na-2H]- 292.02274 159.1
[M]+ 271.04752 151.3
[M]- 271.04862 151.3
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

patents stripe