CID 3016426

44641-39-6

Structural Information

Molecular Formula

C₄H₆Cl₂O₂

SMILES

C(C(C(C=O)Cl)O)Cl

InChI

InChI=1S/C4H6Cl2O2/c5-1-4(8)3(6)2-7/h2-4,8H,1H2

InChIKey

UYQSFAFDOTVORC-UHFFFAOYSA-N

Compound name

2,4-dichloro-3-hydroxybutanal

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 2
Patents: 155.97449 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]+	156.981766	124.6
[M+Na]+	178.963708	133.2
[M-H]-	154.967214	123.4
[M+NH4]+	174.008313	146.1
[M+K]+	194.937648	129.9
[M+H-H2O]+	138.971750	122.8
[M+HCOO]-	200.972691	136.9
[M+CH3COO]-	214.988341	172.1
[M+Na-2H]-	176.949156	128.8
[M]+	155.97394142	126.8
[M]-	155.97503858	126.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe