CID 53422469

1-fluoro-3-methoxy-2-propanol

Structural Information

Molecular Formula
C4H9FO2
SMILES
COCC(CF)O
InChI
InChI=1S/C4H9FO2/c1-7-3-4(6)2-5/h4,6H,2-3H2,1H3
InChIKey
NTOZUEOZUOBUTO-UHFFFAOYSA-N
Compound name
1-fluoro-3-methoxypropan-2-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

24
Patents

108.058655 Da
Monoisotopic Mass

-0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 109.06593 119.0
[M+Na]+ 131.04787 126.4
[M-H]- 107.05138 116.9
[M+NH4]+ 126.09248 141.3
[M+K]+ 147.02181 126.8
[M+H-H2O]+ 91.055915 114.1
[M+HCOO]- 153.05686 140.4
[M+CH3COO]- 167.07251 165.9
[M+Na-2H]- 129.03332 124.8
[M]+ 108.05811 118.7
[M]- 108.05920 118.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe