CID 3342765

85218-64-0

Structural Information

Molecular Formula
C21H18O2
SMILES
CC1=C(C=C(C=C1)C(=O)C2=CC=C(C=C2)OC3=CC=CC=C3)C
InChI
InChI=1S/C21H18O2/c1-15-8-9-18(14-16(15)2)21(22)17-10-12-20(13-11-17)23-19-6-4-3-5-7-19/h3-14H,1-2H3
InChIKey
WAJARHMGAQFYHB-UHFFFAOYSA-N
Compound name
(3,4-dimethylphenyl)-(4-phenoxyphenyl)methanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

302.13068 Da
Monoisotopic Mass

5.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 303.13796 171.5
[M+Na]+ 325.11990 179.0
[M-H]- 301.12340 181.4
[M+NH4]+ 320.16450 186.0
[M+K]+ 341.09384 174.0
[M+H-H2O]+ 285.12794 162.3
[M+HCOO]- 347.12888 194.3
[M+CH3COO]- 361.14453 206.5
[M+Na-2H]- 323.10535 174.8
[M]+ 302.13013 172.8
[M]- 302.13123 172.8
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

No patent data available for this compound.