CID 2846914

77387-64-5

Structural Information

Molecular Formula

C₂₂H₂₈O₂

SMILES

CC(C)(C)C1=CC=C(C=C1)C(C(=O)C2=CC=C(C=C2)C(C)(C)C)O

InChI

InChI=1S/C22H28O2/c1-21(2,3)17-11-7-15(8-12-17)19(23)20(24)16-9-13-18(14-10-16)22(4,5)6/h7-14,19,23H,1-6H3

InChIKey

RPEDYDVPZFYPOZ-UHFFFAOYSA-N

Compound name

1,2-bis(4-tert-butylphenyl)-2-hydroxyethanone

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 10
Patents: 324.20892 Da
Monoisotopic Mass: 5.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	325.216196	178.9
[M+Na]+	347.198138	184.2
[M-H]-	323.201644	184.2
[M+NH4]+	342.242743	192.7
[M+K]+	363.172078	180.5
[M+H-H2O]+	307.206180	172.3
[M+HCOO]-	369.207121	194.7
[M+CH3COO]-	383.222771	210.2
[M+Na-2H]-	345.183586	180.5
[M]+	324.20837142	179.7
[M]-	324.20946858	179.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe