CID 3067129

(3-((2-(4-chlorophenyl)-2-methylpropoxy)methyl)phenyl)phenylmethanone

Structural Information

Molecular Formula
C24H23ClO2
SMILES
CC(C)(COCC1=CC(=CC=C1)C(=O)C2=CC=CC=C2)C3=CC=C(C=C3)Cl
InChI
InChI=1S/C24H23ClO2/c1-24(2,21-11-13-22(25)14-12-21)17-27-16-18-7-6-10-20(15-18)23(26)19-8-4-3-5-9-19/h3-15H,16-17H2,1-2H3
InChIKey
HKRQCVQVDLJMBV-UHFFFAOYSA-N
Compound name
[3-[[2-(4-chlorophenyl)-2-methylpropoxy]methyl]phenyl]-phenylmethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

378.13867 Da
Monoisotopic Mass

7.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 379.14595 193.5
[M+Na]+ 401.12789 210.3
[M+NH4]+ 396.17249 202.2
[M+K]+ 417.10183 200.1
[M-H]- 377.13139 200.3
[M+Na-2H]- 399.11334 204.8
[M]+ 378.13812 198.5
[M]- 378.13922 198.5
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