CID 137935434

2361636-34-0

Structural Information

Molecular Formula

C₆H₉F₃O₂

SMILES

COC1(CC(C1)O)C(F)(F)F

InChI

InChI=1S/C6H9F3O2/c1-11-5(6(7,8)9)2-4(10)3-5/h4,10H,2-3H2,1H3

InChIKey

ZUSCHVVOZUPLDD-UHFFFAOYSA-N

Compound name

3-methoxy-3-(trifluoromethyl)cyclobutan-1-ol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 170.05547 Da
Monoisotopic Mass: 0.9
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]+	171.06275	131.5
[M+Na]+	193.04469	138.9
[M-H]-	169.04819	130.6
[M+NH4]+	188.08929	147.0
[M+K]+	209.01863	140.8
[M+H-H2O]+	153.05273	121.4
[M+HCOO]-	215.05367	147.9
[M+CH3COO]-	229.06932	178.7
[M+Na-2H]-	191.03014	137.1
[M]+	170.05492	136.0
[M]-	170.05602	136.0

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.