CID 456290

Dtxsid601145827

Structural Information

Molecular Formula
C11H12FNO3
SMILES
C1[C@@H](O[C@@H](C1=O)CO)C2=C(C=C(C=C2)N)F
InChI
InChI=1S/C11H12FNO3/c12-8-3-6(13)1-2-7(8)10-4-9(15)11(5-14)16-10/h1-3,10-11,14H,4-5,13H2/t10-,11-/m1/s1
InChIKey
PBLBYMDQMBUMLZ-GHMZBOCLSA-N
Compound name
(2R,5R)-5-(4-amino-2-fluorophenyl)-2-(hydroxymethyl)oxolan-3-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

225.08012 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 226.08740 146.5
[M+Na]+ 248.06934 154.9
[M-H]- 224.07284 151.4
[M+NH4]+ 243.11394 164.3
[M+K]+ 264.04328 152.4
[M+H-H2O]+ 208.07738 139.8
[M+HCOO]- 270.07832 167.5
[M+CH3COO]- 284.09397 188.2
[M+Na-2H]- 246.05479 148.2
[M]+ 225.07957 143.6
[M]- 225.08067 143.6
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.