CID 61089500

1249036-43-8

Structural Information

Molecular Formula

C₁₁H₁₃F₃O₂

SMILES

CC(C)OC1=CC=C(C=C1)C(C(F)(F)F)O

InChI

InChI=1S/C11H13F3O2/c1-7(2)16-9-5-3-8(4-6-9)10(15)11(12,13)14/h3-7,10,15H,1-2H3

InChIKey

FTKMGZZNKSHVBG-UHFFFAOYSA-N

Compound name

2,2,2-trifluoro-1-(4-propan-2-yloxyphenyl)ethanol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 5
Patents: 234.08676 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]+	235.09404	148.0
[M+Na]+	257.07598	155.1
[M-H]-	233.07948	146.4
[M+NH4]+	252.12058	165.2
[M+K]+	273.04992	153.0
[M+H-H2O]+	217.08402	140.1
[M+HCOO]-	279.08496	164.1
[M+CH3COO]-	293.10061	189.6
[M+Na-2H]-	255.06143	150.4
[M]+	234.08621	144.6
[M]-	234.08731	144.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe