CID 483941

174358-11-3

Structural Information

Molecular Formula
C11H11Cl2FN2O4S
SMILES
C1[C@@H]([C@H](S[C@H]1N2C=C(C(=O)NC2=O)C(=C(Cl)Cl)F)CO)O
InChI
InChI=1S/C11H11Cl2FN2O4S/c12-9(13)8(14)4-2-16(11(20)15-10(4)19)7-1-5(18)6(3-17)21-7/h2,5-7,17-18H,1,3H2,(H,15,19,20)/t5-,6+,7+/m0/s1
InChIKey
MHRRXVDFIDEAGA-RRKCRQDMSA-N
Compound name
5-(2,2-dichloro-1-fluoroethenyl)-1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)thiolan-2-yl]pyrimidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

355.98007 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 356.98735 167.5
[M+Na]+ 378.96929 177.0
[M-H]- 354.97279 167.1
[M+NH4]+ 374.01389 179.8
[M+K]+ 394.94323 169.7
[M+H-H2O]+ 338.97733 162.5
[M+HCOO]- 400.97827 167.5
[M+CH3COO]- 414.99392 199.6
[M+Na-2H]- 376.95474 162.1
[M]+ 355.97952 167.7
[M]- 355.98062 167.7
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.