CID 208702

32860-39-2

Structural Information

Molecular Formula
C3H7FO2
SMILES
C([C@H](CF)O)O
InChI
InChI=1S/C3H7FO2/c4-1-3(6)2-5/h3,5-6H,1-2H2/t3-/m0/s1
InChIKey
PQDNJBQKAXAXBQ-VKHMYHEASA-N
Compound name
(2R)-3-fluoropropane-1,2-diol
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

2
References

281
Patents

94.04301 Da
Monoisotopic Mass

-0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 95.050286 115.2
[M+Na]+ 117.032228 122.6
[M-H]- 93.035734 111.8
[M+NH4]+ 112.076833 137.3
[M+K]+ 133.006168 122.3
[M+H-H2O]+ 77.040270 110.7
[M+HCOO]- 139.041211 135.4
[M+CH3COO]- 153.056861 160.2
[M+Na-2H]- 115.017676 121.0
[M]+ 94.04246142 112.5
[M]- 94.04355858 112.5
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