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]+ 267.097546 159.6
[M+Na]+ 289.079488 162.2
[M-H]- 265.082994 165.2
[M+NH4]+ 284.124093 173.1
[M+K]+ 305.053428 152.6
[M+H-H2O]+ 249.087530 160.7
[M+HCOO]- 311.088471 181.6
[M+CH3COO]- 325.104121 185.6
[M+Na-2H]- 287.064936 166.2
[M]+ 266.08972142 153.3
[M]- 266.09081858 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.