CID 97221

15433-03-1

Structural Information

Molecular Formula

C₁₈H₁₆O₂

SMILES

CC1=CC(=C(C(=C1)C)C2C(=O)C3=CC=CC=C3C2=O)C

InChI

InChI=1S/C18H16O2/c1-10-8-11(2)15(12(3)9-10)16-17(19)13-6-4-5-7-14(13)18(16)20/h4-9,16H,1-3H3

InChIKey

YETKCQKJSSIDGC-UHFFFAOYSA-N

Compound name

2-(2,4,6-trimethylphenyl)indene-1,3-dione

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 271
Patents: 264.11502 Da
Monoisotopic Mass: 4.0
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]+	265.122296	158.7
[M+Na]+	287.104238	170.0
[M-H]-	263.107744	167.7
[M+NH4]+	282.148843	179.2
[M+K]+	303.078178	164.8
[M+H-H2O]+	247.112280	152.6
[M+HCOO]-	309.113221	181.7
[M+CH3COO]-	323.128871	201.4
[M+Na-2H]-	285.089686	160.1
[M]+	264.11447142	161.2
[M]-	264.11556858	161.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe