CID 3053254

Benzophenone, 4-benzyl-4'-chloro-

Structural Information

Molecular Formula
C20H15ClO
SMILES
C1=CC=C(C=C1)CC2=CC=C(C=C2)C(=O)C3=CC=C(C=C3)Cl
InChI
InChI=1S/C20H15ClO/c21-19-12-10-18(11-13-19)20(22)17-8-6-16(7-9-17)14-15-4-2-1-3-5-15/h1-13H,14H2
InChIKey
ZRIPJJWYODJTLH-UHFFFAOYSA-N
Compound name
(4-benzylphenyl)-(4-chlorophenyl)methanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

910
Patents

306.08115 Da
Monoisotopic Mass

5.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 307.08843 170.6
[M+Na]+ 329.07037 178.6
[M-H]- 305.07387 179.9
[M+NH4]+ 324.11497 185.7
[M+K]+ 345.04431 171.4
[M+H-H2O]+ 289.07841 162.2
[M+HCOO]- 351.07935 189.0
[M+CH3COO]- 365.09500 182.3
[M+Na-2H]- 327.05582 174.6
[M]+ 306.08060 172.3
[M]- 306.08170 172.3
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

patents stripe