CID 106353

1-cyclohexyl-4-(4-nitrophenoxy)benzene

Structural Information

Molecular Formula
C18H19NO3
SMILES
C1CCC(CC1)C2=CC=C(C=C2)OC3=CC=C(C=C3)[N+](=O)[O-]
InChI
InChI=1S/C18H19NO3/c20-19(21)16-8-12-18(13-9-16)22-17-10-6-15(7-11-17)14-4-2-1-3-5-14/h6-14H,1-5H2
InChIKey
YFHWGRVPEWMRLY-UHFFFAOYSA-N
Compound name
1-cyclohexyl-4-(4-nitrophenoxy)benzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

30
Patents

297.1365 Da
Monoisotopic Mass

5.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 298.14378 169.6
[M+Na]+ 320.12572 172.4
[M-H]- 296.12922 178.0
[M+NH4]+ 315.17032 182.7
[M+K]+ 336.09966 164.6
[M+H-H2O]+ 280.13376 164.7
[M+HCOO]- 342.13470 190.6
[M+CH3COO]- 356.15035 197.0
[M+Na-2H]- 318.11117 174.2
[M]+ 297.13595 164.0
[M]- 297.13705 164.0
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

patents stripe