CID 137528106

2529549-85-5

Structural Information

Molecular Formula

C₅H₇F₃O₂

SMILES

C1C(CC1OC(F)(F)F)O

InChI

InChI=1S/C5H7F3O2/c6-5(7,8)10-4-1-3(9)2-4/h3-4,9H,1-2H2

InChIKey

ZKKVABZGQGAQME-UHFFFAOYSA-N

Compound name

3-(trifluoromethoxy)cyclobutan-1-ol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 16
Patents: 156.03981 Da
Monoisotopic Mass: 1.2
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]+	157.04709	125.4
[M+Na]+	179.02903	132.3
[M-H]-	155.03253	124.1
[M+NH4]+	174.07363	139.4
[M+K]+	195.00297	134.4
[M+H-H2O]+	139.03707	114.0
[M+HCOO]-	201.03801	142.1
[M+CH3COO]-	215.05366	176.1
[M+Na-2H]-	177.01448	130.4
[M]+	156.03926	129.2
[M]-	156.04036	129.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe