CID 39869974

156239-80-4

Structural Information

Molecular Formula

C₆H₁₂F₃NO₂

SMILES

C(CO)N(CCO)CC(F)(F)F

InChI

InChI=1S/C6H12F3NO2/c7-6(8,9)5-10(1-3-11)2-4-12/h11-12H,1-5H2

InChIKey

HKBSMDNAYMGVMO-UHFFFAOYSA-N

Compound name

2-[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]ethanol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 187.08202 Da
Monoisotopic Mass: 0.0
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]+	188.08930	137.0
[M+Na]+	210.07124	143.2
[M-H]-	186.07474	131.8
[M+NH4]+	205.11584	155.6
[M+K]+	226.04518	142.5
[M+H-H2O]+	170.07928	129.7
[M+HCOO]-	232.08022	155.0
[M+CH3COO]-	246.09587	182.1
[M+Na-2H]-	208.05669	141.3
[M]+	187.08147	133.4
[M]-	187.08257	133.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe