CID 454160

Nsc638451

Structural Information

Molecular Formula
C9H10ClFN2O4
SMILES
C1[C@H](O[C@H]([C@H]1F)N2C=C(C(=O)NC2=O)Cl)CO
InChI
InChI=1S/C9H10ClFN2O4/c10-5-2-13(9(16)12-7(5)15)8-6(11)1-4(3-14)17-8/h2,4,6,8,14H,1,3H2,(H,12,15,16)/t4-,6-,8+/m0/s1
InChIKey
WSUYCTSQZMMHEW-MYKRQKDWSA-N
Compound name
5-chloro-1-[(2R,3S,5S)-3-fluoro-5-(hydroxymethyl)oxolan-2-yl]pyrimidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

8
Patents

264.0313 Da
Monoisotopic Mass

-0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 265.03858 150.9
[M+Na]+ 287.02052 162.2
[M-H]- 263.02402 152.6
[M+NH4]+ 282.06512 165.3
[M+K]+ 302.99446 157.8
[M+H-H2O]+ 247.02856 143.8
[M+HCOO]- 309.02950 163.6
[M+CH3COO]- 323.04515 187.5
[M+Na-2H]- 285.00597 152.2
[M]+ 264.03075 151.2
[M]- 264.03185 151.2
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

patents stripe