CID 21924986

2-amino-4,4-difluorobutanoic acid hydrochloride

Structural Information

Molecular Formula

C₄H₇F₂NO₂

SMILES

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

InChI

InChI=1S/C4H7F2NO2/c5-3(6)1-2(7)4(8)9/h2-3H,1,7H2,(H,8,9)

InChIKey

VIUCNIMDPZQXAD-UHFFFAOYSA-N

Compound name

2-amino-4,4-difluorobutanoic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 112
Patents: 139.04448 Da
Monoisotopic Mass: -2.2
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]+	140.05176	127.0
[M+Na]+	162.03370	132.9
[M+NH4]+	157.07830	132.1
[M+K]+	178.00764	130.8
[M-H]-	138.03720	122.2
[M+Na-2H]-	160.01915	127.6
[M]+	139.04393	125.8
[M]-	139.04503	125.8

Literature stripe

literature stripe

Patent stripe

patents stripe