CID 101665

371-46-0

Structural Information

Molecular Formula
C5H9FO4
SMILES
C(C(COC(=O)CF)O)O
InChI
InChI=1S/C5H9FO4/c6-1-5(9)10-3-4(8)2-7/h4,7-8H,1-3H2
InChIKey
WCWJRCWJPRMTLV-UHFFFAOYSA-N
Compound name
2,3-dihydroxypropyl 2-fluoroacetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

152.0485 Da
Monoisotopic Mass

-0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 153.05578 128.8
[M+Na]+ 175.03772 135.4
[M-H]- 151.04122 125.1
[M+NH4]+ 170.08232 148.4
[M+K]+ 191.01166 135.4
[M+H-H2O]+ 135.04576 123.5
[M+HCOO]- 197.04670 148.0
[M+CH3COO]- 211.06235 169.7
[M+Na-2H]- 173.02317 132.2
[M]+ 152.04795 128.4
[M]- 152.04905 128.4
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

No patent data available for this compound.