CID 46222619

1849182-55-3

Structural Information

Molecular Formula

C₃H₅F₃N₂O

SMILES

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

InChI

InChI=1S/C3H5F3N2O/c4-3(5,6)1(7)2(8)9/h1H,7H2,(H2,8,9)

InChIKey

ZHRQXSXRGWVBMS-UHFFFAOYSA-N

Compound name

2-amino-3,3,3-trifluoropropanamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 11
Patents: 142.0354 Da
Monoisotopic Mass: -0.6
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]+	143.04268	122.8
[M+Na]+	165.02462	129.9
[M-H]-	141.02812	118.7
[M+NH4]+	160.06922	142.9
[M+K]+	180.99856	129.6
[M+H-H2O]+	125.03266	115.8
[M+HCOO]-	187.03360	142.0
[M+CH3COO]-	201.04925	177.1
[M+Na-2H]-	163.01007	126.0
[M]+	142.03485	114.3
[M]-	142.03595	114.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe