CID 49859708

5-chloro-5-deoxy-d-ribonate

Structural Information

Molecular Formula
C5H9ClO5
SMILES
C([C@H]([C@H]([C@H](C(=O)O)O)O)O)Cl
InChI
InChI=1S/C5H9ClO5/c6-1-2(7)3(8)4(9)5(10)11/h2-4,7-9H,1H2,(H,10,11)/t2-,3-,4-/m1/s1
InChIKey
IJQSOCFSKCENOW-BXXZVTAOSA-N
Compound name
(2R,3S,4S)-5-chloro-2,3,4-trihydroxypentanoic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

1
References

0
Patents

184.01385 Da
Monoisotopic Mass

-1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 185.02113 133.0
[M+Na]+ 207.00307 138.9
[M-H]- 183.00657 128.1
[M+NH4]+ 202.04767 150.6
[M+K]+ 222.97701 137.0
[M+H-H2O]+ 167.01111 130.4
[M+HCOO]- 229.01205 144.3
[M+CH3COO]- 243.02770 170.9
[M+Na-2H]- 204.98852 133.3
[M]+ 184.01330 132.2
[M]- 184.01440 132.2
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.