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 130.7
[M+Na]+ 191.00816 137.4
[M-H]- 167.01166 127.1
[M+NH4]+ 186.05276 149.7
[M+K]+ 206.98210 135.2
[M+H-H2O]+ 151.01620 127.9
[M+HCOO]- 213.01714 144.1
[M+CH3COO]- 227.03279 170.0
[M+Na-2H]- 188.99361 132.7
[M]+ 168.01839 130.9
[M]- 168.01949 130.9
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