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

6
Patents

378.13867 Da
Monoisotopic Mass

7.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 379.145946 192.1
[M+Na]+ 401.127888 198.5
[M-H]- 377.131394 201.1
[M+NH4]+ 396.172493 204.2
[M+K]+ 417.101828 191.7
[M+H-H2O]+ 361.135930 183.0
[M+HCOO]- 423.136871 207.7
[M+CH3COO]- 437.152521 218.1
[M+Na-2H]- 399.113336 194.7
[M]+ 378.13812142 196.1
[M]- 378.13921858 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