CID 8540

Dinex

Structural Information

Molecular Formula
C12H14N2O5
SMILES
C1CCC(CC1)C2=C(C(=CC(=C2)[N+](=O)[O-])[N+](=O)[O-])O
InChI
InChI=1S/C12H14N2O5/c15-12-10(8-4-2-1-3-5-8)6-9(13(16)17)7-11(12)14(18)19/h6-8,15H,1-5H2
InChIKey
QJYHUJAGJUHXJN-UHFFFAOYSA-N
Compound name
2-cyclohexyl-4,6-dinitrophenol
Related CIDs

2D Structure

compound 2d structure
7
Annotation Hits

0
References

6525
Patents

266.09027 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 267.09755 158.4
[M+Na]+ 289.07949 161.5
[M-H]- 265.08299 163.0
[M+NH4]+ 284.12409 171.5
[M+K]+ 305.05343 151.0
[M+H-H2O]+ 249.08753 160.1
[M+HCOO]- 311.08847 179.0
[M+CH3COO]- 325.10412 183.8
[M+Na-2H]- 287.06494 164.2
[M]+ 266.08972 150.8
[M]- 266.09082 150.8
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.