CID 161220

Quinol sulfate

Structural Information

Molecular Formula
C6H6O5S
SMILES
C1=CC(=CC=C1O)OS(=O)(=O)O
InChI
InChI=1S/C6H6O5S/c7-5-1-3-6(4-2-5)11-12(8,9)10/h1-4,7H,(H,8,9,10)
InChIKey
FPXPQMOQWJZYBL-UHFFFAOYSA-N
Compound name
(4-hydroxyphenyl) hydrogen sulfate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

4
References

1862
Patents

189.99359 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 191.00087 133.5
[M+Na]+ 212.98281 142.6
[M-H]- 188.98631 135.3
[M+NH4]+ 208.02741 152.1
[M+K]+ 228.95675 140.2
[M+H-H2O]+ 172.99085 128.7
[M+HCOO]- 234.99179 150.6
[M+CH3COO]- 249.00744 171.2
[M+Na-2H]- 210.96826 139.3
[M]+ 189.99304 136.3
[M]- 189.99414 136.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.