CID 342970

3-amino-4,4,4-trifluorobutyric acid

Structural Information

Molecular Formula

C₄H₆F₃NO₂

SMILES

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

InChI

InChI=1S/C4H6F3NO2/c5-4(6,7)2(8)1-3(9)10/h2H,1,8H2,(H,9,10)

InChIKey

XRXQOEWWPPJVII-UHFFFAOYSA-N

Compound name

3-amino-4,4,4-trifluorobutanoic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 2
References: 258
Patents: 157.03506 Da
Monoisotopic Mass: -2.3
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]+	158.04234	132.7
[M+Na]+	180.02428	137.6
[M+NH4]+	175.06888	136.6
[M+K]+	195.99822	135.9
[M-H]-	156.02778	126.2
[M+Na-2H]-	178.00973	132.7
[M]+	157.03451	130.8
[M]-	157.03561	130.8

Literature stripe

literature stripe

Patent stripe

patents stripe