CID 512604

1-(2-deoxy-.beta.-d-ribofuranosyl)-5-(1-azido-2-bromoethyl)-2,4-difluoro-benzene

Structural Information

Molecular Formula
C13H14BrF2N3O3
SMILES
C1[C@@H]([C@H](O[C@H]1C2=CC(=C(C=C2F)F)C(CBr)N=[N+]=[N-])CO)O
InChI
InChI=1S/C13H14BrF2N3O3/c14-4-10(18-19-17)6-1-7(9(16)2-8(6)15)12-3-11(21)13(5-20)22-12/h1-2,10-13,20-21H,3-5H2/t10?,11-,12+,13+/m0/s1
InChIKey
WVICGZTYTPCXTN-FJAVPRTDSA-N
Compound name
(2R,3S,5R)-5-[5-(1-azido-2-bromoethyl)-2,4-difluorophenyl]-2-(hydroxymethyl)oxolan-3-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

377.01865 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 378.02593 182.4
[M+Na]+ 400.00787 191.2
[M-H]- 376.01137 189.3
[M+NH4]+ 395.05247 197.3
[M+K]+ 415.98181 175.0
[M+H-H2O]+ 360.01591 182.3
[M+HCOO]- 422.01685 202.2
[M+CH3COO]- 436.03250 211.2
[M+Na-2H]- 397.99332 185.2
[M]+ 377.01810 196.1
[M]- 377.01920 196.1
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.