CID 512607

99641-50-6

Structural Information

Molecular Formula
C9H10ClN2O8P
SMILES
C1C2C([C@H]([C@@H](O2)N3C=C(C(=O)NC3=O)Cl)O)OP(=O)(O1)O
InChI
InChI=1S/C9H10ClN2O8P/c10-3-1-12(9(15)11-7(3)14)8-5(13)6-4(19-8)2-18-21(16,17)20-6/h1,4-6,8,13H,2H2,(H,16,17)(H,11,14,15)/t4?,5-,6?,8-/m1/s1
InChIKey
HPMGPJYRBXHWOB-DVMOCUDESA-N
Compound name
5-chloro-1-[(6R,7R)-2,7-dihydroxy-2-oxo-4a,6,7,7a-tetrahydro-4H-furo[3,2-d][1,3,2]dioxaphosphinin-6-yl]pyrimidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

339.98633 Da
Monoisotopic Mass

-2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 340.99361 164.8
[M+Na]+ 362.97555 175.2
[M-H]- 338.97905 167.8
[M+NH4]+ 358.02015 175.7
[M+K]+ 378.94949 175.0
[M+H-H2O]+ 322.98359 157.4
[M+HCOO]- 384.98453 177.6
[M+CH3COO]- 399.00018 199.5
[M+Na-2H]- 360.96100 166.2
[M]+ 339.98578 168.3
[M]- 339.98688 168.3
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.