CID 3073187

4-(2-chlorobenzyl)phenyl-beta-d-xylopyranoside

Structural Information

Molecular Formula
C18H19ClO5
SMILES
C1[C@H]([C@@H]([C@H]([C@@H](O1)OC2=CC=C(C=C2)CC3=CC=CC=C3Cl)O)O)O
InChI
InChI=1S/C18H19ClO5/c19-14-4-2-1-3-12(14)9-11-5-7-13(8-6-11)24-18-17(22)16(21)15(20)10-23-18/h1-8,15-18,20-22H,9-10H2/t15-,16+,17-,18+/m1/s1
InChIKey
FYXYGJIPESPIQM-XDNAFOTISA-N
Compound name
(2S,3R,4S,5R)-2-[4-[(2-chlorophenyl)methyl]phenoxy]oxane-3,4,5-triol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

350.0921 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 351.09938 178.8
[M+Na]+ 373.08132 185.6
[M-H]- 349.08482 185.3
[M+NH4]+ 368.12592 189.4
[M+K]+ 389.05526 181.1
[M+H-H2O]+ 333.08936 171.4
[M+HCOO]- 395.09030 189.8
[M+CH3COO]- 409.10595 204.3
[M+Na-2H]- 371.06677 179.9
[M]+ 350.09155 179.2
[M]- 350.09265 179.2
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.