CID 220959

Benzylidene dibenzoylmethane

Structural Information

Molecular Formula
C22H16O2
SMILES
C1=CC=C(C=C1)C=C(C(=O)C2=CC=CC=C2)C(=O)C3=CC=CC=C3
InChI
InChI=1S/C22H16O2/c23-21(18-12-6-2-7-13-18)20(16-17-10-4-1-5-11-17)22(24)19-14-8-3-9-15-19/h1-16H
InChIKey
XWLSHEYUYYYBBQ-UHFFFAOYSA-N
Compound name
2-benzylidene-1,3-diphenylpropane-1,3-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

22
Patents

312.11502 Da
Monoisotopic Mass

5.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 313.12230 174.8
[M+Na]+ 335.10424 179.0
[M-H]- 311.10774 183.5
[M+NH4]+ 330.14884 187.6
[M+K]+ 351.07818 173.5
[M+H-H2O]+ 295.11228 165.4
[M+HCOO]- 357.11322 195.6
[M+CH3COO]- 371.12887 205.6
[M+Na-2H]- 333.08969 177.3
[M]+ 312.11447 172.5
[M]- 312.11557 172.5
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

patents stripe