CID 490250

1-(2-deoxy-.beta.-d-ribofuranosyl)-2,4-difluoro-5-(2-iodo-1-methoxyethyl)benzene

Structural Information

Molecular Formula
C14H17F2IO4
SMILES
COC(CI)C1=C(C=C(C(=C1)[C@H]2C[C@@H]([C@H](O2)CO)O)F)F
InChI
InChI=1S/C14H17F2IO4/c1-20-13(5-17)8-2-7(9(15)3-10(8)16)12-4-11(19)14(6-18)21-12/h2-3,11-14,18-19H,4-6H2,1H3/t11-,12+,13?,14+/m0/s1
InChIKey
HWSVVYHWDJAGQP-QEFRMZAXSA-N
Compound name
(2R,3S,5R)-5-[2,4-difluoro-5-(2-iodo-1-methoxyethyl)phenyl]-2-(hydroxymethyl)oxolan-3-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

414.01395 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 415.02123 178.6
[M+Na]+ 437.00317 178.9
[M-H]- 413.00667 173.9
[M+NH4]+ 432.04777 188.3
[M+K]+ 452.97711 182.2
[M+H-H2O]+ 397.01121 167.4
[M+HCOO]- 459.01215 189.4
[M+CH3COO]- 473.02780 208.3
[M+Na-2H]- 434.98862 164.3
[M]+ 414.01340 174.8
[M]- 414.01450 174.8
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.