CID 456289

3-fluoro-4-[1-(2-deoxy-.beta.-d-ribofuranosyl)]aniline

Structural Information

Molecular Formula
C11H14FNO3
SMILES
C1[C@@H]([C@H](O[C@H]1C2=C(C=C(C=C2)N)F)CO)O
InChI
InChI=1S/C11H14FNO3/c12-8-3-6(13)1-2-7(8)10-4-9(15)11(5-14)16-10/h1-3,9-11,14-15H,4-5,13H2/t9-,10+,11+/m0/s1
InChIKey
SPHVDJFKAKVINO-HBNTYKKESA-N
Compound name
(2R,3S,5R)-5-(4-amino-2-fluorophenyl)-2-(hydroxymethyl)oxolan-3-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

227.09576 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 228.10304 148.0
[M+Na]+ 250.08498 155.7
[M-H]- 226.08848 151.5
[M+NH4]+ 245.12958 165.1
[M+K]+ 266.05892 153.0
[M+H-H2O]+ 210.09302 141.5
[M+HCOO]- 272.09396 167.3
[M+CH3COO]- 286.10961 186.6
[M+Na-2H]- 248.07043 149.3
[M]+ 227.09521 144.0
[M]- 227.09631 144.0
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.