CID 90899824

2361644-99-5

Structural Information

Molecular Formula

C₅H₇F₃O₂

SMILES

C1C(CC1(C(F)(F)F)O)O

InChI

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

InChIKey

VWYVOBRKQXPBAY-UHFFFAOYSA-N

Compound name

1-(trifluoromethyl)cyclobutane-1,3-diol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 156.03981 Da
Monoisotopic Mass: 0.4
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	128.5
[M+Na]+	179.02903	135.9
[M-H]-	155.03253	126.3
[M+NH4]+	174.07363	143.7
[M+K]+	195.00297	137.0
[M+H-H2O]+	139.03707	118.7
[M+HCOO]-	201.03801	143.7
[M+CH3COO]-	215.05366	173.2
[M+Na-2H]-	177.01448	134.0
[M]+	156.03926	130.7
[M]-	156.04036	130.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe