CID 84983

15548-61-5

Structural Information

Molecular Formula
C16H17BrO6
SMILES
C1=CC2=C(C=CC(=C2)Br)C=C1O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O
InChI
InChI=1S/C16H17BrO6/c17-10-3-1-9-6-11(4-2-8(9)5-10)22-16-15(21)14(20)13(19)12(7-18)23-16/h1-6,12-16,18-21H,7H2/t12-,13-,14+,15-,16-/m1/s1
InChIKey
NLRXQZJJCPRATR-IBEHDNSVSA-N
Compound name
(2S,3R,4S,5S,6R)-2-(6-bromonaphthalen-2-yl)oxy-6-(hydroxymethyl)oxane-3,4,5-triol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

8
References

202
Patents

384.02084 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 385.02812 179.0
[M+Na]+ 407.01006 181.5
[M+NH4]+ 402.05466 181.8
[M+K]+ 422.98400 182.8
[M-H]- 383.01356 180.4
[M+Na-2H]- 404.99551 178.6
[M]+ 384.02029 178.4
[M]- 384.02139 178.4
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