CID 73977875

1123786-79-7

Structural Information

Molecular Formula

SMILES

C1C(CO1)(CCO)F

InChI

InChI=1S/C5H9FO2/c6-5(1-2-7)3-8-4-5/h7H,1-4H2

InChIKey

UBXQNBYHOSKHKT-UHFFFAOYSA-N

Compound name

2-(3-fluorooxetan-3-yl)ethanol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 6
Patents: 120.058655 Da
Monoisotopic Mass: -0.2
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]+	121.06593	118.1
[M+Na]+	143.04787	124.6
[M-H]-	119.05138	120.1
[M+NH4]+	138.09248	134.1
[M+K]+	159.02181	128.2
[M+H-H2O]+	103.05592	109.2
[M+HCOO]-	165.05686	137.7
[M+CH3COO]-	179.07251	169.4
[M+Na-2H]-	141.03332	126.8
[M]+	120.05811	125.6
[M]-	120.05920	125.6

Literature stripe

literature stripe

Patent stripe

patents stripe