CID 3586224

128238-43-7

Structural Information

Molecular Formula

C₆H₁₀F₃NO₂

SMILES

C(CCO)CNC(=O)C(F)(F)F

InChI

InChI=1S/C6H10F3NO2/c7-6(8,9)5(12)10-3-1-2-4-11/h11H,1-4H2,(H,10,12)

InChIKey

LZUDPIMZEXACCH-UHFFFAOYSA-N

Compound name

2,2,2-trifluoro-N-(4-hydroxybutyl)acetamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 149
Patents: 185.06636 Da
Monoisotopic Mass: 0.7
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]+	186.073636	135.7
[M+Na]+	208.055578	142.3
[M-H]-	184.059084	130.6
[M+NH4]+	203.100183	154.5
[M+K]+	224.029518	141.0
[M+H-H2O]+	168.063620	128.6
[M+HCOO]-	230.064561	153.9
[M+CH3COO]-	244.080211	180.4
[M+Na-2H]-	206.041026	140.1
[M]+	185.06581142	131.3
[M]-	185.06690858	131.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe