CID 146155789

[1-(hydroxymethyl)-2-(trifluoromethyl)cyclopropyl]methanol

Structural Information

Molecular Formula

C₆H₉F₃O₂

SMILES

C1C(C1(CO)CO)C(F)(F)F

InChI

InChI=1S/C6H9F3O2/c7-6(8,9)4-1-5(4,2-10)3-11/h4,10-11H,1-3H2

InChIKey

QUYIRJYWJBFSBX-UHFFFAOYSA-N

Compound name

[1-(hydroxymethyl)-2-(trifluoromethyl)cyclopropyl]methanol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 170.05547 Da
Monoisotopic Mass: 0.5
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]+	171.062746	125.8
[M+Na]+	193.044688	136.0
[M-H]-	169.048194	124.7
[M+NH4]+	188.089293	142.3
[M+K]+	209.018628	133.5
[M+H-H2O]+	153.052730	120.0
[M+HCOO]-	215.053671	142.5
[M+CH3COO]-	229.069321	176.6
[M+Na-2H]-	191.030136	132.4
[M]+	170.05492142	124.3
[M]-	170.05601858	124.3

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.