CID 7107

9h-xanthene

Structural Information

Molecular Formula

C₁₃H₁₀O

SMILES

C1C2=CC=CC=C2OC3=CC=CC=C31

InChI

InChI=1S/C13H10O/c1-3-7-12-10(5-1)9-11-6-2-4-8-13(11)14-12/h1-8H,9H2

InChIKey

GJCOSYZMQJWQCA-UHFFFAOYSA-N

Compound name

9H-xanthene

Related CIDs

2D Structure

compound 2d structure

5
Annotation Hits: 5421
References: 149975
Patents: 182.07317 Da
Monoisotopic Mass: 3.5
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]+	183.08045	134.1
[M+Na]+	205.06239	142.7
[M-H]-	181.06589	140.2
[M+NH4]+	200.10699	154.8
[M+K]+	221.03633	140.0
[M+H-H2O]+	165.07043	127.6
[M+HCOO]-	227.07137	155.0
[M+CH3COO]-	241.08702	148.1
[M+Na-2H]-	203.04784	145.7
[M]+	182.07262	133.8
[M]-	182.07372	133.8

Literature stripe

literature stripe

Patent stripe

patents stripe