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

6592
Patents

266.09027 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 267.097546 158.4
[M+Na]+ 289.079488 161.5
[M-H]- 265.082994 163.0
[M+NH4]+ 284.124093 171.5
[M+K]+ 305.053428 151.0
[M+H-H2O]+ 249.087530 160.1
[M+HCOO]- 311.088471 179.0
[M+CH3COO]- 325.104121 183.8
[M+Na-2H]- 287.064936 164.2
[M]+ 266.08972142 150.8
[M]- 266.09081858 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

literature stripe

Patent stripe

patents stripe