CID 79564

1-cyclohexyl-4-nitrobenzene

Structural Information

Molecular Formula
C12H15NO2
SMILES
C1CCC(CC1)C2=CC=C(C=C2)[N+](=O)[O-]
InChI
InChI=1S/C12H15NO2/c14-13(15)12-8-6-11(7-9-12)10-4-2-1-3-5-10/h6-10H,1-5H2
InChIKey
FUVKJYZTELKRRB-UHFFFAOYSA-N
Compound name
1-cyclohexyl-4-nitrobenzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

65
Patents

205.11028 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 206.117556 145.1
[M+Na]+ 228.099498 149.0
[M-H]- 204.103004 150.9
[M+NH4]+ 223.144103 162.7
[M+K]+ 244.073438 142.6
[M+H-H2O]+ 188.107540 142.7
[M+HCOO]- 250.108481 167.0
[M+CH3COO]- 264.124131 179.7
[M+Na-2H]- 226.084946 151.2
[M]+ 205.10973142 138.6
[M]- 205.11082858 138.6
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