CID 49859658

5-chloro-5-deoxy-d-ribono-gamma-lactone

Structural Information

Molecular Formula
C5H7ClO4
SMILES
C(C1[C@H]([C@H](C(=O)O1)O)O)Cl
InChI
InChI=1S/C5H7ClO4/c6-1-2-3(7)4(8)5(9)10-2/h2-4,7-8H,1H2/t2?,3-,4-/m1/s1
InChIKey
CBQUKTYYJALFIT-FJWSOENFSA-N
Compound name
(3R,4S)-5-(chloromethyl)-3,4-dihydroxyoxolan-2-one
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

1
References

0
Patents

166.00328 Da
Monoisotopic Mass

-0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 167.010556 128.4
[M+Na]+ 188.992498 138.1
[M-H]- 164.996004 130.5
[M+NH4]+ 184.037103 149.4
[M+K]+ 204.966438 136.1
[M+H-H2O]+ 149.000540 125.6
[M+HCOO]- 211.001481 144.5
[M+CH3COO]- 225.017131 169.6
[M+Na-2H]- 186.977946 132.2
[M]+ 166.00273142 129.5
[M]- 166.00382858 129.5
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.