CID 515178

1-(9h-xanthen-2-yl)ethanone

Structural Information

Molecular Formula

C₁₅H₁₂O₂

SMILES

CC(=O)C1=CC2=C(C=C1)OC3=CC=CC=C3C2

InChI

InChI=1S/C15H12O2/c1-10(16)11-6-7-15-13(8-11)9-12-4-2-3-5-14(12)17-15/h2-8H,9H2,1H3

InChIKey

QKOZJKFAYMWQDE-UHFFFAOYSA-N

Compound name

1-(9H-xanthen-2-yl)ethanone

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 15
Patents: 224.08372 Da
Monoisotopic Mass: 3.1
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]+	225.09100	146.4
[M+Na]+	247.07294	155.0
[M-H]-	223.07644	152.6
[M+NH4]+	242.11754	165.4
[M+K]+	263.04688	152.3
[M+H-H2O]+	207.08098	139.7
[M+HCOO]-	269.08192	165.9
[M+CH3COO]-	283.09757	159.6
[M+Na-2H]-	245.05839	155.0
[M]+	224.08317	147.4
[M]-	224.08427	147.4

Literature stripe

literature stripe

Patent stripe

patents stripe