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

59
Patents

314.13068 Da
Monoisotopic Mass

5.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 315.137956 174.4
[M+Na]+ 337.119898 181.4
[M-H]- 313.123404 184.2
[M+NH4]+ 332.164503 188.3
[M+K]+ 353.093838 176.2
[M+H-H2O]+ 297.127940 165.2
[M+HCOO]- 359.128881 196.0
[M+CH3COO]- 373.144531 209.6
[M+Na-2H]- 335.105346 176.0
[M]+ 314.13013142 174.8
[M]- 314.13122858 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