CID 45051184

853319-46-7

Structural Information

Molecular Formula
C18H18O3
SMILES
CC(C)(C)C(=O)C(=O)OC1=CC=C(C=C1)C2=CC=CC=C2
InChI
InChI=1S/C18H18O3/c1-18(2,3)16(19)17(20)21-15-11-9-14(10-12-15)13-7-5-4-6-8-13/h4-12H,1-3H3
InChIKey
GNETUJZATVDKSO-UHFFFAOYSA-N
Compound name
(4-phenylphenyl) 3,3-dimethyl-2-oxobutanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

282.12558 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 283.13286 165.2
[M+Na]+ 305.11480 171.5
[M-H]- 281.11830 171.9
[M+NH4]+ 300.15940 180.8
[M+K]+ 321.08874 168.8
[M+H-H2O]+ 265.12284 157.9
[M+HCOO]- 327.12378 185.8
[M+CH3COO]- 341.13943 200.3
[M+Na-2H]- 303.10025 169.0
[M]+ 282.12503 167.2
[M]- 282.12613 167.2
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.