CID 24130

Nsc 407866

Structural Information

Molecular Formula
C12H14N2O5
SMILES
C1CCC(CC1)OC2=CC(=CC(=C2)[N+](=O)[O-])[N+](=O)[O-]
InChI
InChI=1S/C12H14N2O5/c15-13(16)9-6-10(14(17)18)8-12(7-9)19-11-4-2-1-3-5-11/h6-8,11H,1-5H2
InChIKey
OOAJHDAAUZCTLU-UHFFFAOYSA-N
Compound name
1-cyclohexyloxy-3,5-dinitrobenzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

266.09027 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 267.09755 159.6
[M+Na]+ 289.07949 162.2
[M-H]- 265.08299 165.2
[M+NH4]+ 284.12409 173.1
[M+K]+ 305.05343 152.6
[M+H-H2O]+ 249.08753 160.7
[M+HCOO]- 311.08847 181.6
[M+CH3COO]- 325.10412 185.6
[M+Na-2H]- 287.06494 166.2
[M]+ 266.08972 153.3
[M]- 266.09082 153.3
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.