CID 71758651

1443980-61-7

Structural Information

Molecular Formula

C₁₆H₁₆F₃NO

SMILES

C1=CC=C(C=C1)CNCC(C2=CC=CC=C2C(F)(F)F)O

InChI

InChI=1S/C16H16F3NO/c17-16(18,19)14-9-5-4-8-13(14)15(21)11-20-10-12-6-2-1-3-7-12/h1-9,15,20-21H,10-11H2

InChIKey

AEWYIHDASOFNPG-UHFFFAOYSA-N

Compound name

2-(benzylamino)-1-[2-(trifluoromethyl)phenyl]ethanol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 295.1184 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]+	296.125676	165.4
[M+Na]+	318.107618	171.1
[M-H]-	294.111124	166.4
[M+NH4]+	313.152223	179.3
[M+K]+	334.081558	165.9
[M+H-H2O]+	278.115660	155.3
[M+HCOO]-	340.116601	183.0
[M+CH3COO]-	354.132251	202.2
[M+Na-2H]-	316.093066	169.2
[M]+	295.11785142	159.8
[M]-	295.11894858	159.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe