CID 68205

Fluorescin

Structural Information

Molecular Formula

C₂₀H₁₄O₅

SMILES

C1=CC=C(C(=C1)C2C3=C(C=C(C=C3)O)OC4=C2C=CC(=C4)O)C(=O)O

InChI

InChI=1S/C20H14O5/c21-11-5-7-15-17(9-11)25-18-10-12(22)6-8-16(18)19(15)13-3-1-2-4-14(13)20(23)24/h1-10,19,21-22H,(H,23,24)

InChIKey

MURGITYSBWUQTI-UHFFFAOYSA-N

Compound name

2-(3,6-dihydroxy-9H-xanthen-9-yl)benzoic acid

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 29
References: 9859
Patents: 334.08414 Da
Monoisotopic Mass: 3.7
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]+	335.09142	174.4
[M+Na]+	357.07336	182.7
[M-H]-	333.07686	180.3
[M+NH4]+	352.11796	186.6
[M+K]+	373.04730	178.7
[M+H-H2O]+	317.08140	166.4
[M+HCOO]-	379.08234	189.2
[M+CH3COO]-	393.09799	184.7
[M+Na-2H]-	355.05881	179.4
[M]+	334.08359	174.6
[M]-	334.08469	174.6

Literature stripe

literature stripe

Patent stripe

patents stripe