CID 3067155

1-((2-(4-chlorophenyl)-2-methylpropoxy)methyl)-3-phenoxybenzene

Structural Information

Molecular Formula
C23H23ClO2
SMILES
CC(C)(COCC1=CC(=CC=C1)OC2=CC=CC=C2)C3=CC=C(C=C3)Cl
InChI
InChI=1S/C23H23ClO2/c1-23(2,19-11-13-20(24)14-12-19)17-25-16-18-7-6-10-22(15-18)26-21-8-4-3-5-9-21/h3-15H,16-17H2,1-2H3
InChIKey
FKBIRPXIZSRYDA-UHFFFAOYSA-N
Compound name
1-chloro-4-[2-methyl-1-[(3-phenoxyphenyl)methoxy]propan-2-yl]benzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

49
Patents

366.13867 Da
Monoisotopic Mass

7.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 367.14595 189.3
[M+Na]+ 389.12789 196.2
[M-H]- 365.13139 198.3
[M+NH4]+ 384.17249 202.1
[M+K]+ 405.10183 189.7
[M+H-H2O]+ 349.13593 180.2
[M+HCOO]- 411.13687 206.0
[M+CH3COO]- 425.15252 215.1
[M+Na-2H]- 387.11334 193.5
[M]+ 366.13812 194.1
[M]- 366.13922 194.1
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