CID 22833570

3,4-dihydroxyphenylglycol o-sulfate

Structural Information

Molecular Formula
C8H10O7S
SMILES
C1=CC(=C(C=C1C(CO)O)O)OS(=O)(=O)O
InChI
InChI=1S/C8H10O7S/c9-4-7(11)5-1-2-8(6(10)3-5)15-16(12,13)14/h1-3,7,9-11H,4H2,(H,12,13,14)
InChIKey
MFYFKAXYRXODPL-UHFFFAOYSA-N
Compound name
[4-(1,2-dihydroxyethyl)-2-hydroxyphenyl] hydrogen sulfate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

250.01472 Da
Monoisotopic Mass

-1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 251.02200 149.9
[M+Na]+ 273.00394 157.8
[M+NH4]+ 268.04854 154.0
[M+K]+ 288.97788 155.2
[M-H]- 249.00744 146.4
[M+Na-2H]- 270.98939 151.3
[M]+ 250.01417 150.0
[M]- 250.01527 150.0
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

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No patent data available for this compound.