CID 380722

Nsc666430

Structural Information

Molecular Formula
C15H14N2O5
SMILES
C1C2C=CC3C1C(CC23)OC4=C(C=C(C=C4)[N+](=O)[O-])[N+](=O)[O-]
InChI
InChI=1S/C15H14N2O5/c18-16(19)9-2-4-14(13(6-9)17(20)21)22-15-7-11-8-1-3-10(11)12(15)5-8/h1-4,6,8,10-12,15H,5,7H2
InChIKey
PXIDSKRGSXBQGV-UHFFFAOYSA-N
Compound name
9-(2,4-dinitrophenoxy)tricyclo[4.3.0.03,7]non-4-ene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

302.09027 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 303.09755 172.8
[M+Na]+ 325.07949 176.6
[M-H]- 301.08299 180.4
[M+NH4]+ 320.12409 192.2
[M+K]+ 341.05343 166.3
[M+H-H2O]+ 285.08753 176.2
[M+HCOO]- 347.08847 195.4
[M+CH3COO]- 361.10412 195.0
[M+Na-2H]- 323.06494 177.3
[M]+ 302.08972 170.5
[M]- 302.09082 170.5
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

No patent data available for this compound.