CID 84172583

1-phenyl-2-[4-(propan-2-yl)phenyl]ethane-1,2-dione

Structural Information

Molecular Formula
C17H16O2
SMILES
CC(C)C1=CC=C(C=C1)C(=O)C(=O)C2=CC=CC=C2
InChI
InChI=1S/C17H16O2/c1-12(2)13-8-10-15(11-9-13)17(19)16(18)14-6-4-3-5-7-14/h3-12H,1-2H3
InChIKey
FVJZGGZIXPLKFH-UHFFFAOYSA-N
Compound name
1-phenyl-2-(4-propan-2-ylphenyl)ethane-1,2-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

252.11504 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 253.12232 158.3
[M+Na]+ 275.10426 172.1
[M+NH4]+ 270.14886 166.5
[M+K]+ 291.07820 165.2
[M-H]- 251.10776 162.3
[M+Na-2H]- 273.08971 167.0
[M]+ 252.11449 161.4
[M]- 252.11559 161.4
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