CID 155858568

(2s)-4-fluorobutane-1,2-diol

Structural Information

Molecular Formula

SMILES

C(CF)[C@@H](CO)O

InChI

InChI=1S/C4H9FO2/c5-2-1-4(7)3-6/h4,6-7H,1-3H2/t4-/m0/s1

InChIKey

ZVQZMHORAYWONP-BYPYZUCNSA-N

Compound name

(2S)-4-fluorobutane-1,2-diol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 108.058655 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]+	109.06593	119.9
[M+Na]+	131.04787	128.5
[M+NH4]+	126.09248	126.8
[M+K]+	147.02181	124.6
[M-H]-	107.05138	116.8
[M+Na-2H]-	129.03332	122.3
[M]+	108.05811	119.8
[M]-	108.05920	119.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe