CID 417739

Potassium 2-carbamoyl-2,2-difluoroacetate

Structural Information

Molecular Formula

C₃H₃F₂NO₃

SMILES

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

InChI

InChI=1S/C3H3F2NO3/c4-3(5,1(6)7)2(8)9/h(H2,6,7)(H,8,9)

InChIKey

FUMUYQOLZRPWPQ-UHFFFAOYSA-N

Compound name

3-amino-2,2-difluoro-3-oxopropanoic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 139.0081 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]+	140.01538	120.5
[M+Na]+	161.99732	128.2
[M-H]-	138.00082	116.8
[M+NH4]+	157.04192	140.5
[M+K]+	177.97126	128.0
[M+H-H2O]+	122.00536	114.9
[M+HCOO]-	184.00630	139.6
[M+CH3COO]-	198.02195	171.2
[M+Na-2H]-	159.98277	124.8
[M]+	139.00755	115.5
[M]-	139.00865	115.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe