CID 4459265

128238-44-8

Structural Information

Molecular Formula

C₇H₁₂F₃NO₂

SMILES

C(CCNC(=O)C(F)(F)F)CCO

InChI

InChI=1S/C7H12F3NO2/c8-7(9,10)6(13)11-4-2-1-3-5-12/h12H,1-5H2,(H,11,13)

InChIKey

SCHGQSPQAJAJRI-UHFFFAOYSA-N

Compound name

2,2,2-trifluoro-N-(5-hydroxypentyl)acetamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 99
Patents: 199.08202 Da
Monoisotopic Mass: 1.0
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]+	200.08930	140.4
[M+Na]+	222.07124	146.5
[M-H]-	198.07474	135.1
[M+NH4]+	217.11584	158.6
[M+K]+	238.04518	145.0
[M+H-H2O]+	182.07928	133.0
[M+HCOO]-	244.08022	158.3
[M+CH3COO]-	258.09587	183.5
[M+Na-2H]-	220.05669	144.2
[M]+	199.08147	136.4
[M]-	199.08257	136.4

Literature stripe

literature stripe

Patent stripe

patents stripe