CID 45065

63905-00-0

Structural Information

Molecular Formula

C₆H₁₀ClFO₃

SMILES

C(CF)C(C(=O)OCCCl)O

InChI

InChI=1S/C6H10ClFO3/c7-2-4-11-6(10)5(9)1-3-8/h5,9H,1-4H2

InChIKey

PYNDSUPYXXIHRB-UHFFFAOYSA-N

Compound name

2-chloroethyl 4-fluoro-2-hydroxybutanoate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 184.03024 Da
Monoisotopic Mass: 0.8
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]+	185.03752	133.9
[M+Na]+	207.01946	141.5
[M-H]-	183.02296	131.5
[M+NH4]+	202.06406	154.0
[M+K]+	222.99340	139.4
[M+H-H2O]+	167.02750	129.7
[M+HCOO]-	229.02844	149.8
[M+CH3COO]-	243.04409	177.1
[M+Na-2H]-	205.00491	137.2
[M]+	184.02969	136.3
[M]-	184.03079	136.3

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.