CID 10959527

4451-36-9

Structural Information

Molecular Formula
C14H19ClO9
SMILES
CC(=O)OC[C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)Cl)OC(=O)C)OC(=O)C)OC(=O)C
InChI
InChI=1S/C14H19ClO9/c1-6(16)20-5-10-11(21-7(2)17)12(22-8(3)18)13(14(15)24-10)23-9(4)19/h10-14H,5H2,1-4H3/t10-,11-,12+,13-,14-/m1/s1
InChIKey
BYWPSIUIJNAJDV-RKQHYHRCSA-N
Compound name
[(2R,3R,4S,5R,6S)-3,4,5-triacetyloxy-6-chlorooxan-2-yl]methyl acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

13
Patents

366.07175 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 367.07903 173.2
[M+Na]+ 389.06097 180.5
[M+NH4]+ 384.10557 175.8
[M+K]+ 405.03491 180.3
[M-H]- 365.06447 170.9
[M+Na-2H]- 387.04642 171.4
[M]+ 366.07120 173.2
[M]- 366.07230 173.2
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

patents stripe