CID 7059533

93713-26-9

Structural Information

Molecular Formula
C4H5FN2O3
SMILES
[C@H]1([C@@H](NC(=O)NC1=O)O)F
InChI
InChI=1S/C4H5FN2O3/c5-1-2(8)6-4(10)7-3(1)9/h1-2,8H,(H2,6,7,9,10)/t1-,2+/m1/s1
InChIKey
AWONXBGDFDRWRH-NCGGTJAESA-N
Compound name
(5R,6S)-5-fluoro-6-hydroxy-1,3-diazinane-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

148.02843 Da
Monoisotopic Mass

-1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 149.03571 127.2
[M+Na]+ 171.01765 135.7
[M-H]- 147.02115 123.0
[M+NH4]+ 166.06225 143.9
[M+K]+ 186.99159 132.6
[M+H-H2O]+ 131.02569 120.8
[M+HCOO]- 193.02663 141.8
[M+CH3COO]- 207.04228 165.8
[M+Na-2H]- 169.00310 130.7
[M]+ 148.02788 119.4
[M]- 148.02898 119.4
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.