CID 2345305

3,3-difluoropentanedioic acid

Structural Information

Molecular Formula

C₅H₆F₂O₄

SMILES

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

InChI

InChI=1S/C5H6F2O4/c6-5(7,1-3(8)9)2-4(10)11/h1-2H2,(H,8,9)(H,10,11)

InChIKey

DJEGOLDQLZCAOL-UHFFFAOYSA-N

Compound name

3,3-difluoropentanedioic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 2
References: 27
Patents: 168.02342 Da
Monoisotopic Mass: -0.1
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]+	169.03070	134.1
[M+Na]+	191.01264	139.9
[M+NH4]+	186.05724	137.8
[M+K]+	206.98658	138.6
[M-H]-	167.01614	127.0
[M+Na-2H]-	188.99809	133.7
[M]+	168.02287	132.2
[M]-	168.02397	132.2

Literature stripe

literature stripe

Patent stripe

patents stripe