CID 10657183

2,4-dihydroxyacetophenone 5-sulfate

Structural Information

Molecular Formula
C8H8O6S
SMILES
CC(=O)C1=C(C=C(C=C1)O)OS(=O)(=O)O
InChI
InChI=1S/C8H8O6S/c1-5(9)7-3-2-6(10)4-8(7)14-15(11,12)13/h2-4,10H,1H3,(H,11,12,13)
InChIKey
COXWPCPYWFBNJH-UHFFFAOYSA-N
Compound name
(2-acetyl-5-hydroxyphenyl) hydrogen sulfate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

17
Patents

232.00417 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 233.01145 143.2
[M+Na]+ 254.99339 151.9
[M-H]- 230.99689 144.9
[M+NH4]+ 250.03799 160.1
[M+K]+ 270.96733 149.7
[M+H-H2O]+ 215.00143 138.1
[M+HCOO]- 277.00237 159.0
[M+CH3COO]- 291.01802 180.7
[M+Na-2H]- 252.97884 146.7
[M]+ 232.00362 147.3
[M]- 232.00472 147.3
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