CID 454511

145986-13-6

Structural Information

Molecular Formula
C8H9ClN2O4S
SMILES
C1[C@H](O[C@H](S1)CO)N2C=C(C(=O)NC2=O)Cl
InChI
InChI=1S/C8H9ClN2O4S/c9-4-1-11(8(14)10-7(4)13)5-3-16-6(2-12)15-5/h1,5-6,12H,2-3H2,(H,10,13,14)/t5-,6+/m0/s1
InChIKey
DVJJKFFBFIKNCE-NTSWFWBYSA-N
Compound name
5-chloro-1-[(2R,5S)-2-(hydroxymethyl)-1,3-oxathiolan-5-yl]pyrimidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

0
Patents

263.99716 Da
Monoisotopic Mass

0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 265.00444 151.3
[M+Na]+ 286.98638 162.3
[M-H]- 262.98988 154.6
[M+NH4]+ 282.03098 166.3
[M+K]+ 302.96032 157.9
[M+H-H2O]+ 246.99442 146.0
[M+HCOO]- 308.99536 160.7
[M+CH3COO]- 323.01101 184.3
[M+Na-2H]- 284.97183 151.5
[M]+ 263.99661 154.1
[M]- 263.99771 154.1
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.