CID 9798510

169198-26-9

Structural Information

Molecular Formula

C₂₄H₃₀O₂

SMILES

CC1=C(C(=CC=C1)C2C3=C(C(=CC(=C3)C(C)(C)C)C(C)(C)C)OC2=O)C

InChI

InChI=1S/C24H30O2/c1-14-10-9-11-17(15(14)2)20-18-12-16(23(3,4)5)13-19(24(6,7)8)21(18)26-22(20)25/h9-13,20H,1-8H3

InChIKey

JFYKXFLSIZYLRY-UHFFFAOYSA-N

Compound name

5,7-ditert-butyl-3-(2,3-dimethylphenyl)-3H-1-benzofuran-2-one

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 0
References: 3200
Patents: 350.22458 Da
Monoisotopic Mass: 7.1
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]+	351.231856	187.1
[M+Na]+	373.213798	196.4
[M-H]-	349.217304	196.3
[M+NH4]+	368.258403	203.3
[M+K]+	389.187738	192.9
[M+H-H2O]+	333.221840	181.6
[M+HCOO]-	395.222781	203.7
[M+CH3COO]-	409.238431	219.9
[M+Na-2H]-	371.199246	188.3
[M]+	350.22403142	191.9
[M]-	350.22512858	191.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe