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 192.1
[M+Na]+ 401.12789 198.5
[M-H]- 377.13139 201.1
[M+NH4]+ 396.17249 204.2
[M+K]+ 417.10183 191.7
[M+H-H2O]+ 361.13593 183.0
[M+HCOO]- 423.13687 207.7
[M+CH3COO]- 437.15252 218.1
[M+Na-2H]- 399.11334 194.7
[M]+ 378.13812 196.1
[M]- 378.13922 196.1
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