CID 65736

Xanthene-9-carboxylic acid

Structural Information

Molecular Formula

C₁₄H₁₀O₃

SMILES

C1=CC=C2C(=C1)C(C3=CC=CC=C3O2)C(=O)O

InChI

InChI=1S/C14H10O3/c15-14(16)13-9-5-1-3-7-11(9)17-12-8-4-2-6-10(12)13/h1-8,13H,(H,15,16)

InChIKey

VSBFNCXKYIEYIS-UHFFFAOYSA-N

Compound name

9H-xanthene-9-carboxylic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 16
References: 1334
Patents: 226.06299 Da
Monoisotopic Mass: 2.2
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]+	227.07027	145.1
[M+Na]+	249.05221	153.5
[M-H]-	225.05571	150.0
[M+NH4]+	244.09681	163.2
[M+K]+	265.02615	150.9
[M+H-H2O]+	209.06025	138.6
[M+HCOO]-	271.06119	163.6
[M+CH3COO]-	285.07684	157.9
[M+Na-2H]-	247.03766	153.9
[M]+	226.06244	145.4
[M]-	226.06354	145.4

Literature stripe

literature stripe

Patent stripe

patents stripe