CID 217661

39148-55-5

Structural Information

Molecular Formula
C20H16O
SMILES
CC1=CC=C(C=C1)C(=O)C2=CC=C(C=C2)C3=CC=CC=C3
InChI
InChI=1S/C20H16O/c1-15-7-9-18(10-8-15)20(21)19-13-11-17(12-14-19)16-5-3-2-4-6-16/h2-14H,1H3
InChIKey
FHXOSEAUHPYUAO-UHFFFAOYSA-N
Compound name
(4-methylphenyl)-(4-phenylphenyl)methanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

186
Patents

272.12012 Da
Monoisotopic Mass

5.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 273.12740 163.5
[M+Na]+ 295.10934 170.7
[M-H]- 271.11284 173.2
[M+NH4]+ 290.15394 179.1
[M+K]+ 311.08328 165.2
[M+H-H2O]+ 255.11738 154.7
[M+HCOO]- 317.11832 186.5
[M+CH3COO]- 331.13397 175.6
[M+Na-2H]- 293.09479 168.1
[M]+ 272.11957 162.7
[M]- 272.12067 162.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe