CID 119734

27872-83-9

Structural Information

Molecular Formula

C₁₂H₁₅ClF₃NO

SMILES

CC(CC1=CC(=C(C=C1)Cl)C(F)(F)F)NCCO

InChI

InChI=1S/C12H15ClF3NO/c1-8(17-4-5-18)6-9-2-3-11(13)10(7-9)12(14,15)16/h2-3,7-8,17-18H,4-6H2,1H3

InChIKey

PXUPYSJLILBVTG-UHFFFAOYSA-N

Compound name

2-[1-[4-chloro-3-(trifluoromethyl)phenyl]propan-2-ylamino]ethanol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 5
Patents: 281.07944 Da
Monoisotopic Mass: 3.0
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]+	282.086716	158.5
[M+Na]+	304.068658	166.4
[M-H]-	280.072164	156.8
[M+NH4]+	299.113263	174.8
[M+K]+	320.042598	160.9
[M+H-H2O]+	264.076700	151.1
[M+HCOO]-	326.077641	171.6
[M+CH3COO]-	340.093291	199.5
[M+Na-2H]-	302.054106	160.8
[M]+	281.07889142	156.5
[M]-	281.07998858	156.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe