CID 10400717

Schembl62897

Structural Information

Molecular Formula
C18H18O2
SMILES
CC(C)C(C(=O)C1=CC=CC=C1)C(=O)C2=CC=CC=C2
InChI
InChI=1S/C18H18O2/c1-13(2)16(17(19)14-9-5-3-6-10-14)18(20)15-11-7-4-8-12-15/h3-13,16H,1-2H3
InChIKey
INOOPDWDPUATRT-UHFFFAOYSA-N
Compound name
1,3-diphenyl-2-propan-2-ylpropane-1,3-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

2357
Patents

266.13068 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 267.13796 162.8
[M+Na]+ 289.11990 167.0
[M-H]- 265.12340 168.7
[M+NH4]+ 284.16450 178.2
[M+K]+ 305.09384 164.1
[M+H-H2O]+ 249.12794 155.0
[M+HCOO]- 311.12888 182.6
[M+CH3COO]- 325.14453 199.9
[M+Na-2H]- 287.10535 163.9
[M]+ 266.13013 162.2
[M]- 266.13123 162.2
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