CID 1247781

Methanone, 1,3-phenylenebis((methylphenyl)-

Structural Information

Molecular Formula
C22H18O2
SMILES
CC1=CC=C(C=C1)C(=O)C2=CC(=CC=C2)C(=O)C3=CC=C(C=C3)C
InChI
InChI=1S/C22H18O2/c1-15-6-10-17(11-7-15)21(23)19-4-3-5-20(14-19)22(24)18-12-8-16(2)9-13-18/h3-14H,1-2H3
InChIKey
FIALLYBQVILKOF-UHFFFAOYSA-N
Compound name
[3-(4-methylbenzoyl)phenyl]-(4-methylphenyl)methanone
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

55
Patents

314.13068 Da
Monoisotopic Mass

5.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 315.13796 174.4
[M+Na]+ 337.11990 181.4
[M-H]- 313.12340 184.2
[M+NH4]+ 332.16450 188.3
[M+K]+ 353.09384 176.2
[M+H-H2O]+ 297.12794 165.2
[M+HCOO]- 359.12888 196.0
[M+CH3COO]- 373.14453 209.6
[M+Na-2H]- 335.10535 176.0
[M]+ 314.13013 174.8
[M]- 314.13123 174.8
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

patents stripe