CID 67986

2-fluoro-1,3-propanediol

Structural Information

Molecular Formula
C3H7FO2
SMILES
C(C(CO)F)O
InChI
InChI=1S/C3H7FO2/c4-3(1-5)2-6/h3,5-6H,1-2H2
InChIKey
NWIQTMVDEWDMAM-UHFFFAOYSA-N
Compound name
2-fluoropropane-1,3-diol
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

103
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]+ 117.03223 122.6
[M-H]- 93.035734 111.8
[M+NH4]+ 112.07683 137.3
[M+K]+ 133.00617 122.3
[M+H-H2O]+ 77.040270 110.7
[M+HCOO]- 139.04121 135.4
[M+CH3COO]- 153.05686 160.2
[M+Na-2H]- 115.01768 121.0
[M]+ 94.042461 112.5
[M]- 94.043559 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

literature stripe

Patent stripe

patents stripe