CID 233142

Nsc31242

Structural Information

Molecular Formula

C₁₅H₁₁ClO₂

SMILES

CC1=CC2=C(C(=C1Cl)C)C(=O)C3=CC=CC=C3O2

InChI

InChI=1S/C15H11ClO2/c1-8-7-12-13(9(2)14(8)16)15(17)10-5-3-4-6-11(10)18-12/h3-7H,1-2H3

InChIKey

CQMZFCUNKAAWKF-UHFFFAOYSA-N

Compound name

2-chloro-1,3-dimethylxanthen-9-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 0
Patents: 258.04477 Da
Monoisotopic Mass: 4.3
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]+	259.05205	151.9
[M+Na]+	281.03399	166.4
[M-H]-	257.03749	159.7
[M+NH4]+	276.07859	171.7
[M+K]+	297.00793	161.5
[M+H-H2O]+	241.04203	146.3
[M+HCOO]-	303.04297	170.6
[M+CH3COO]-	317.05862	166.9
[M+Na-2H]-	279.01944	160.9
[M]+	258.04422	159.9
[M]-	258.04532	159.9

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.