CID 155858568

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

Structural Information

Molecular Formula
C4H9FO2
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

Adduct m/z Predicted CCS (Ų)
[M+H]+ 109.06593 119.9
[M+Na]+ 131.04787 126.8
[M-H]- 107.05138 116.3
[M+NH4]+ 126.09248 141.4
[M+K]+ 147.02181 126.3
[M+H-H2O]+ 91.055915 115.2
[M+HCOO]- 153.05686 139.7
[M+CH3COO]- 167.07251 163.3
[M+Na-2H]- 129.03332 125.1
[M]+ 108.05811 117.6
[M]- 108.05920 117.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe