CID 23366596

1-(4-tert-butylphenyl)-2-phenylethane-1,2-dione

Structural Information

Molecular Formula
C18H18O2
SMILES
CC(C)(C)C1=CC=C(C=C1)C(=O)C(=O)C2=CC=CC=C2
InChI
InChI=1S/C18H18O2/c1-18(2,3)15-11-9-14(10-12-15)17(20)16(19)13-7-5-4-6-8-13/h4-12H,1-3H3
InChIKey
XFORLZBEJLHOKD-UHFFFAOYSA-N
Compound name
1-(4-tert-butylphenyl)-2-phenylethane-1,2-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

266.13068 Da
Monoisotopic Mass

5.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 267.13796 161.4
[M+Na]+ 289.11990 167.8
[M-H]- 265.12340 168.1
[M+NH4]+ 284.16450 177.7
[M+K]+ 305.09384 164.4
[M+H-H2O]+ 249.12794 154.4
[M+HCOO]- 311.12888 181.8
[M+CH3COO]- 325.14453 198.9
[M+Na-2H]- 287.10535 165.2
[M]+ 266.13013 162.1
[M]- 266.13123 162.1
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

No patent data available for this compound.