CID 511984

Chembl3143824

Structural Information

Molecular Formula
C11H11Cl2FN2O5
SMILES
C1[C@@H]([C@H](O[C@H]1N2C=C(C(=O)NC2=O)C(=C(Cl)Cl)F)CO)O
InChI
InChI=1S/C11H11Cl2FN2O5/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
GKJXQTFKIMUOAX-RRKCRQDMSA-N
Compound name
5-(2,2-dichloro-1-fluoroethenyl)-1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

340.0029 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 341.01018 165.2
[M+Na]+ 362.99212 174.9
[M-H]- 338.99562 165.1
[M+NH4]+ 358.03672 176.1
[M+K]+ 378.96606 169.4
[M+H-H2O]+ 323.00016 159.1
[M+HCOO]- 385.00110 169.4
[M+CH3COO]- 399.01675 198.6
[M+Na-2H]- 360.97757 162.6
[M]+ 340.00235 165.2
[M]- 340.00345 165.2
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.