CID 9763

2-(2-fluoroethoxy)ethan-1-ol

Structural Information

Molecular Formula
C4H9FO2
SMILES
C(COCCF)O
InChI
InChI=1S/C4H9FO2/c5-1-3-7-4-2-6/h6H,1-4H2
InChIKey
AIQHGORLUMRDSE-UHFFFAOYSA-N
Compound name
2-(2-fluoroethoxy)ethanol
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

156
Patents

108.058655 Da
Monoisotopic Mass

-0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 109.06593 118.5
[M+Na]+ 131.04787 126.1
[M-H]- 107.05138 116.2
[M+NH4]+ 126.09248 140.8
[M+K]+ 147.02181 126.0
[M+H-H2O]+ 91.055915 113.5
[M+HCOO]- 153.05686 140.8
[M+CH3COO]- 167.07251 165.1
[M+Na-2H]- 129.03332 125.6
[M]+ 108.05811 118.8
[M]- 108.05920 118.8
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