CID 3086831

Brn 5049536

Structural Information

Molecular Formula
C22H20O
SMILES
CC1=CC(=CC=C1)C(C2=CC=CC(=C2)C)C(=O)C3=CC=CC=C3
InChI
InChI=1S/C22H20O/c1-16-8-6-12-19(14-16)21(20-13-7-9-17(2)15-20)22(23)18-10-4-3-5-11-18/h3-15,21H,1-2H3
InChIKey
GAORPJAEPLHAMQ-UHFFFAOYSA-N
Compound name
2,2-bis(3-methylphenyl)-1-phenylethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

300.15143 Da
Monoisotopic Mass

5.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 301.15871 173.5
[M+Na]+ 323.14065 190.5
[M+NH4]+ 318.18525 183.1
[M+K]+ 339.11459 180.8
[M-H]- 299.14415 181.3
[M+Na-2H]- 321.12610 185.7
[M]+ 300.15088 178.5
[M]- 300.15198 178.5
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.