CID 3000408

Lafu-mep

Structural Information

Molecular Formula
C10H12FN2O7P
SMILES
CP(=O)(O)OC[C@@H]1[C@H]2[C@H](O2)[C@@H](O1)N3C=C(C(=O)NC3=O)F
InChI
InChI=1S/C10H12FN2O7P/c1-21(16,17)18-3-5-6-7(20-6)9(19-5)13-2-4(11)8(14)12-10(13)15/h2,5-7,9H,3H2,1H3,(H,16,17)(H,12,14,15)/t5-,6+,7+,9-/m1/s1
InChIKey
MLBYBXNZBRALOB-UTSKPXGSSA-N
Compound name
[(1S,2R,4R,5S)-4-(5-fluoro-2,4-dioxopyrimidin-1-yl)-3,6-dioxabicyclo[3.1.0]hexan-2-yl]methoxy-methylphosphinic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

322.03662 Da
Monoisotopic Mass

-2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 323.04390 170.9
[M+Na]+ 345.02584 182.7
[M-H]- 321.02934 173.9
[M+NH4]+ 340.07044 177.5
[M+K]+ 360.99978 180.0
[M+H-H2O]+ 305.03388 161.7
[M+HCOO]- 367.03482 190.0
[M+CH3COO]- 381.05047 203.4
[M+Na-2H]- 343.01129 172.3
[M]+ 322.03607 177.9
[M]- 322.03717 177.9
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.