CID 3067142

80843-87-4

Structural Information

Molecular Formula
C24H25ClO
SMILES
CC(C)(COCC1=CC=CC(=C1)CC2=CC=CC=C2)C3=CC=C(C=C3)Cl
InChI
InChI=1S/C24H25ClO/c1-24(2,22-11-13-23(25)14-12-22)18-26-17-21-10-6-9-20(16-21)15-19-7-4-3-5-8-19/h3-14,16H,15,17-18H2,1-2H3
InChIKey
UWNDANYZAJMRGB-UHFFFAOYSA-N
Compound name
1-benzyl-3-[[2-(4-chlorophenyl)-2-methylpropoxy]methyl]benzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

364.1594 Da
Monoisotopic Mass

7.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 365.16668 190.6
[M+Na]+ 387.14862 197.2
[M-H]- 363.15212 199.3
[M+NH4]+ 382.19322 203.5
[M+K]+ 403.12256 189.6
[M+H-H2O]+ 347.15666 181.4
[M+HCOO]- 409.15760 206.7
[M+CH3COO]- 423.17325 216.0
[M+Na-2H]- 385.13407 194.1
[M]+ 364.15885 194.3
[M]- 364.15995 194.3
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