CID 6450926

100348-16-1

Structural Information

Molecular Formula
C10H11BrFN3O5
SMILES
C1[C@@H]([C@H](O[C@H]1N2C(=O)NC(=O)C(=N2)/C=C(\F)/Br)CO)O
InChI
InChI=1S/C10H11BrFN3O5/c11-7(12)1-4-9(18)13-10(19)15(14-4)8-2-5(17)6(3-16)20-8/h1,5-6,8,16-17H,2-3H2,(H,13,18,19)/b7-1-/t5-,6+,8+/m0/s1
InChIKey
PZHAXONLZUCDNN-GRMGBRLTSA-N
Compound name
6-[(E)-2-bromo-2-fluoroethenyl]-2-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-1,2,4-triazine-3,5-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

350.9866 Da
Monoisotopic Mass

0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 351.99388 165.3
[M+Na]+ 373.97582 177.1
[M-H]- 349.97932 167.1
[M+NH4]+ 369.02042 177.0
[M+K]+ 389.94976 165.3
[M+H-H2O]+ 333.98386 163.0
[M+HCOO]- 395.98480 176.9
[M+CH3COO]- 410.00045 198.8
[M+Na-2H]- 371.96127 166.1
[M]+ 350.98605 181.3
[M]- 350.98715 181.3
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.