CID 50989742

4-amino-3,3-difluorobutanoic acid hydrochloride

Structural Information

Molecular Formula

C₄H₇F₂NO₂

SMILES

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

InChI

InChI=1S/C4H7F2NO2/c5-4(6,2-7)1-3(8)9/h1-2,7H2,(H,8,9)

InChIKey

WXGKXOWURHJBDJ-UHFFFAOYSA-N

Compound name

4-amino-3,3-difluorobutanoic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 5
Patents: 139.04448 Da
Monoisotopic Mass: -2.8
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	126.6
[M+Na]+	162.03370	132.9
[M+NH4]+	157.07830	131.7
[M+K]+	178.00764	130.4
[M-H]-	138.03720	121.6
[M+Na-2H]-	160.01915	127.8
[M]+	139.04393	125.5
[M]-	139.04503	125.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe