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 172.5
[M+Na]+ 323.14065 178.4
[M-H]- 299.14415 181.8
[M+NH4]+ 318.18525 186.8
[M+K]+ 339.11459 173.0
[M+H-H2O]+ 283.14869 163.4
[M+HCOO]- 345.14963 193.8
[M+CH3COO]- 359.16528 207.1
[M+Na-2H]- 321.12610 174.8
[M]+ 300.15088 171.8
[M]- 300.15198 171.8
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.