CID 69581

2,2-difluorosuccinic acid

Structural Information

Molecular Formula

C₄H₄F₂O₄

SMILES

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

InChI

InChI=1S/C4H4F2O4/c5-4(6,3(9)10)1-2(7)8/h1H2,(H,7,8)(H,9,10)

InChIKey

ZYLFHISLYSHWRH-UHFFFAOYSA-N

Compound name

2,2-difluorobutanedioic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 6
References: 210
Patents: 154.00777 Da
Monoisotopic Mass: 0.0
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]+	155.01505	123.8
[M+Na]+	176.99699	131.5
[M-H]-	153.00049	119.2
[M+NH4]+	172.04159	143.1
[M+K]+	192.97093	131.1
[M+H-H2O]+	137.00503	118.6
[M+HCOO]-	199.00597	141.0
[M+CH3COO]-	213.02162	169.5
[M+Na-2H]-	174.98244	128.1
[M]+	154.00722	120.6
[M]-	154.00832	120.6

Literature stripe

literature stripe

Patent stripe

patents stripe