CID 150889

Orthonitrophenyl-beta-d-fucopyranoside

Structural Information

Molecular Formula
C12H15NO7
SMILES
C[C@@H]1[C@@H]([C@@H]([C@H]([C@@H](O1)OC2=CC=CC=C2[N+](=O)[O-])O)O)O
InChI
InChI=1S/C12H15NO7/c1-6-9(14)10(15)11(16)12(19-6)20-8-5-3-2-4-7(8)13(17)18/h2-6,9-12,14-16H,1H3/t6-,9+,10+,11-,12+/m1/s1
InChIKey
SWRPIVXPHLYETN-BVWHHUJWSA-N
Compound name
(2R,3R,4S,5R,6S)-2-methyl-6-(2-nitrophenoxy)oxane-3,4,5-triol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

7
References

178
Patents

285.08484 Da
Monoisotopic Mass

-0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 286.09212 159.2
[M+Na]+ 308.07406 164.6
[M-H]- 284.07756 162.9
[M+NH4]+ 303.11866 170.8
[M+K]+ 324.04800 159.5
[M+H-H2O]+ 268.08210 157.0
[M+HCOO]- 330.08304 176.4
[M+CH3COO]- 344.09869 187.8
[M+Na-2H]- 306.05951 163.6
[M]+ 285.08429 156.5
[M]- 285.08539 156.5
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