CID 5006050

401615-73-4

Structural Information

Molecular Formula
C20H23ClO
SMILES
COC1=C(C=C(C=C1)C2CCCCC2)CC3=CC=C(C=C3)Cl
InChI
InChI=1S/C20H23ClO/c1-22-20-12-9-17(16-5-3-2-4-6-16)14-18(20)13-15-7-10-19(21)11-8-15/h7-12,14,16H,2-6,13H2,1H3
InChIKey
TXBMBVPNAGTVMU-UHFFFAOYSA-N
Compound name
2-[(4-chlorophenyl)methyl]-4-cyclohexyl-1-methoxybenzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

314.14374 Da
Monoisotopic Mass

7.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 315.15102 175.6
[M+Na]+ 337.13296 192.2
[M+NH4]+ 332.17756 186.1
[M+K]+ 353.10690 181.2
[M-H]- 313.13646 183.6
[M+Na-2H]- 335.11841 186.2
[M]+ 314.14319 180.9
[M]- 314.14429 180.9
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.