CID 204454

Fluorohydroxyacetone phosphate

Structural Information

Molecular Formula
C3H6FO5P
SMILES
C(C(=O)CF)OP(=O)(O)O
InChI
InChI=1S/C3H6FO5P/c4-1-3(5)2-9-10(6,7)8/h1-2H2,(H2,6,7,8)
InChIKey
CALYQZCUJBGIDW-UHFFFAOYSA-N
Compound name
(3-fluoro-2-oxopropyl) dihydrogen phosphate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

171.99368 Da
Monoisotopic Mass

-1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 173.00096 131.3
[M+Na]+ 194.98290 139.0
[M-H]- 170.98640 126.8
[M+NH4]+ 190.02750 150.6
[M+K]+ 210.95684 139.1
[M+H-H2O]+ 154.99094 124.4
[M+HCOO]- 216.99188 156.2
[M+CH3COO]- 231.00753 171.9
[M+Na-2H]- 192.96835 134.6
[M]+ 171.99313 132.8
[M]- 171.99423 132.8
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

No patent data available for this compound.