CID 22280328

2,4-furandicarboxylic acid

Structural Information

Molecular Formula

C₆H₄O₅

SMILES

C1=C(OC=C1C(=O)O)C(=O)O

InChI

InChI=1S/C6H4O5/c7-5(8)3-1-4(6(9)10)11-2-3/h1-2H,(H,7,8)(H,9,10)

InChIKey

JOTDFEIYNHTJHZ-UHFFFAOYSA-N

Compound name

furan-2,4-dicarboxylic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1071
Patents: 156.00587 Da
Monoisotopic Mass: 0.4
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]+	157.01315	128.0
[M+Na]+	178.99509	137.2
[M+NH4]+	174.03969	133.9
[M+K]+	194.96903	137.3
[M-H]-	154.99859	127.3
[M+Na-2H]-	176.98054	130.4
[M]+	156.00532	128.6
[M]-	156.00642	128.6

Literature stripe

literature stripe

Patent stripe

patents stripe