CID 3062518

3-chloro-4'-phenethylbenzophenone

Structural Information

Molecular Formula
C21H17ClO
SMILES
C1=CC=C(C=C1)CCC2=CC=C(C=C2)C(=O)C3=CC(=CC=C3)Cl
InChI
InChI=1S/C21H17ClO/c22-20-8-4-7-19(15-20)21(23)18-13-11-17(12-14-18)10-9-16-5-2-1-3-6-16/h1-8,11-15H,9-10H2
InChIKey
WAYMYHFLJFIPGV-UHFFFAOYSA-N
Compound name
(3-chlorophenyl)-[4-(2-phenylethyl)phenyl]methanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

320.0968 Da
Monoisotopic Mass

6.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 321.10408 175.3
[M+Na]+ 343.08602 182.8
[M-H]- 319.08952 184.4
[M+NH4]+ 338.13062 189.8
[M+K]+ 359.05996 175.3
[M+H-H2O]+ 303.09406 166.6
[M+HCOO]- 365.09500 193.3
[M+CH3COO]- 379.11065 186.5
[M+Na-2H]- 341.07147 178.7
[M]+ 320.09625 177.3
[M]- 320.09735 177.3
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

No patent data available for this compound.