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]+ 167.01056 128.4
[M+Na]+ 188.99250 138.1
[M-H]- 164.99600 130.5
[M+NH4]+ 184.03710 149.4
[M+K]+ 204.96644 136.1
[M+H-H2O]+ 149.00054 125.6
[M+HCOO]- 211.00148 144.5
[M+CH3COO]- 225.01713 169.6
[M+Na-2H]- 186.97795 132.2
[M]+ 166.00273 129.5
[M]- 166.00383 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.