CID 72805222

4,4-difluoro-2-hydroxybutanoicacid

Structural Information

Molecular Formula

C₄H₆F₂O₃

SMILES

C(C(C(=O)O)O)C(F)F

InChI

InChI=1S/C4H6F2O3/c5-3(6)1-2(7)4(8)9/h2-3,7H,1H2,(H,8,9)

InChIKey

BGOLDFOBUFLIRO-UHFFFAOYSA-N

Compound name

4,4-difluoro-2-hydroxybutanoic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 4
Patents: 140.0285 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]+	141.03578	127.8
[M+Na]+	163.01772	134.2
[M+NH4]+	158.06232	132.6
[M+K]+	178.99166	132.3
[M-H]-	139.02122	122.0
[M+Na-2H]-	161.00317	128.0
[M]+	140.02795	126.4
[M]-	140.02905	126.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe