CID 495045

Nsc642901

Structural Information

Molecular Formula
C10H11F3N2O8S
SMILES
C1[C@H]([C@@H](O[C@@H]1N2C=C(C(=O)NC2=O)OS(=O)(=O)C(F)(F)F)CO)O
InChI
InChI=1S/C10H11F3N2O8S/c11-10(12,13)24(20,21)23-5-2-15(9(19)14-8(5)18)7-1-4(17)6(3-16)22-7/h2,4,6-7,16-17H,1,3H2,(H,14,18,19)/t4-,6+,7+/m1/s1
InChIKey
VQYONSKKHOQOSV-PIYBLCFFSA-N
Compound name
[1-[(2S,4R,5S)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-2,4-dioxopyrimidin-5-yl] trifluoromethanesulfonate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

376.01883 Da
Monoisotopic Mass

-0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 377.02611 172.1
[M+Na]+ 399.00805 181.4
[M-H]- 375.01155 170.1
[M+NH4]+ 394.05265 180.2
[M+K]+ 414.98199 178.6
[M+H-H2O]+ 359.01609 164.1
[M+HCOO]- 421.01703 178.6
[M+CH3COO]- 435.03268 202.3
[M+Na-2H]- 396.99350 173.2
[M]+ 376.01828 172.1
[M]- 376.01938 172.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.