CID 605367

5905-01-1

Structural Information

Molecular Formula

C₁₀H₆O₄

SMILES

C1=C(OC(=C1)C2=CC=C(O2)C=O)C=O

InChI

InChI=1S/C10H6O4/c11-5-7-1-3-9(13-7)10-4-2-8(6-12)14-10/h1-6H

InChIKey

ZTHGULBLQLJTSW-UHFFFAOYSA-N

Compound name

5-(5-formylfuran-2-yl)furan-2-carbaldehyde

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 26
Patents: 190.02661 Da
Monoisotopic Mass: 1.3
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]+	191.033886	133.3
[M+Na]+	213.015828	144.9
[M-H]-	189.019334	142.8
[M+NH4]+	208.060433	154.1
[M+K]+	228.989768	145.1
[M+H-H2O]+	173.023870	128.9
[M+HCOO]-	235.024811	161.4
[M+CH3COO]-	249.040461	179.0
[M+Na-2H]-	211.001276	140.1
[M]+	190.02606142	140.4
[M]-	190.02715858	140.4

Literature stripe

literature stripe

Patent stripe

patents stripe