CID 28575735

1021003-12-2

Structural Information

Molecular Formula

C₉H₁₀F₃NO

SMILES

C1=CC(=CC=C1C(F)(F)F)NCCO

InChI

InChI=1S/C9H10F3NO/c10-9(11,12)7-1-3-8(4-2-7)13-5-6-14/h1-4,13-14H,5-6H2

InChIKey

GYUHDZLHKQMXPN-UHFFFAOYSA-N

Compound name

2-[4-(trifluoromethyl)anilino]ethanol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 3
Patents: 205.07144 Da
Monoisotopic Mass: 2.1
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]+	206.07872	139.6
[M+Na]+	228.06066	147.3
[M-H]-	204.06416	138.1
[M+NH4]+	223.10526	157.8
[M+K]+	244.03460	143.9
[M+H-H2O]+	188.06870	131.6
[M+HCOO]-	250.06964	159.1
[M+CH3COO]-	264.08529	184.6
[M+Na-2H]-	226.04611	145.7
[M]+	205.07089	134.5
[M]-	205.07199	134.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe