CID 49859588

5-chloro-5-deoxyribose

Structural Information

Molecular Formula
C5H9ClO4
SMILES
C([C@H]([C@H]([C@H](C=O)O)O)O)Cl
InChI
InChI=1S/C5H9ClO4/c6-1-3(8)5(10)4(9)2-7/h2-5,8-10H,1H2/t3-,4+,5-/m1/s1
InChIKey
KDUJLBVYFZOEJP-MROZADKFSA-N
Compound name
(2R,3S,4S)-5-chloro-2,3,4-trihydroxypentanal
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

1
References

9
Patents

168.01894 Da
Monoisotopic Mass

-1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 169.02622 131.0
[M+Na]+ 191.00816 139.0
[M+NH4]+ 186.05276 136.8
[M+K]+ 206.98210 137.0
[M-H]- 167.01166 127.1
[M+Na-2H]- 188.99361 131.7
[M]+ 168.01839 130.8
[M]- 168.01949 130.8
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

patents stripe