CID 91487

3,4-dichloro-5-hydroxyfuran-2(5h)-one

Structural Information

Molecular Formula

C₄H₂Cl₂O₃

SMILES

C1(C(=C(C(=O)O1)Cl)Cl)O

InChI

InChI=1S/C4H2Cl2O3/c5-1-2(6)4(8)9-3(1)7/h3,7H

InChIKey

ZAKLKBFCSHJIRI-UHFFFAOYSA-N

Compound name

3,4-dichloro-2-hydroxy-2H-furan-5-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 16
References: 6958
Patents: 167.9381 Da
Monoisotopic Mass: 0.9
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]+	168.94538	123.9
[M+Na]+	190.92732	136.7
[M+NH4]+	185.97192	132.3
[M+K]+	206.90126	133.4
[M-H]-	166.93082	125.2
[M+Na-2H]-	188.91277	128.1
[M]+	167.93755	126.5
[M]-	167.93865	126.5

Literature stripe

literature stripe

Patent stripe

patents stripe