CID 11821061

[[[difluoro(phosphono)methyl]-hydroxy-phosphoryl]oxy-[[(2s,5r)-5-(5-methyl-2,4-dioxo-pyrimidin-1-yl)tetrahydrofuran-2-yl]methoxy]phosphoryl]boranuide

Structural Information

Molecular Formula
C11H16BF2N2O11P3
SMILES
[B-][P@](=O)(OC[C@@H]1CC[C@@H](O1)N2C=C(C(=O)NC2=O)C)OP(=O)(C(F)(F)P(=O)(O)O)O
InChI
InChI=1S/C11H16BF2N2O11P3/c1-6-4-16(10(18)15-9(6)17)8-3-2-7(26-8)5-25-30(12,24)27-29(22,23)11(13,14)28(19,20)21/h4,7-8H,2-3,5H2,1H3,(H,22,23)(H,15,17,18)(H2,19,20,21)/q-1/t7-,8+,30-/m0/s1
InChIKey
SSTFUMIVTXNLOF-QSPTVXAJSA-N
Compound name
None
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

494.0028 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 495.01008 188.2
[M+Na]+ 516.99202 195.0
[M-H]- 492.99552 194.0
[M+NH4]+ 512.03662 194.5
[M+K]+ 532.96596 185.0
[M+H-H2O]+ 477.00006 187.0
[M+HCOO]- 539.00100 218.2
[M+CH3COO]- 553.01665 222.8
[M+Na-2H]- 514.97747 203.7
[M]+ 494.00225 185.4
[M]- 494.00335 185.4
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.