CID 107705

Dtxsid30909618

Structural Information

Molecular Formula
C16H9NO3
SMILES
C1=CC2=C3C(=C1)C4C(O4)C5=C3C(=C(C=C5)[N+](=O)[O-])C=C2
InChI
InChI=1S/C16H9NO3/c18-17(19)12-7-6-11-14-9(12)5-4-8-2-1-3-10(13(8)14)15-16(11)20-15/h1-7,15-16H
InChIKey
HSGLBAJOUBFGPZ-UHFFFAOYSA-N
Compound name
8-nitro-3-oxapentacyclo[7.6.2.02,4.05,17.012,16]heptadeca-1(15),5(17),6,8,10,12(16),13-heptaene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

263.05826 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 264.06554 148.2
[M+Na]+ 286.04748 159.2
[M-H]- 262.05098 155.6
[M+NH4]+ 281.09208 162.4
[M+K]+ 302.02142 151.2
[M+H-H2O]+ 246.05552 144.6
[M+HCOO]- 308.05646 167.5
[M+CH3COO]- 322.07211 199.9
[M+Na-2H]- 284.03293 162.0
[M]+ 263.05771 154.3
[M]- 263.05881 154.3
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.