CID 84843

4-methyl-2-oxo-2h-chromen-7-yl sulfate

Structural Information

Molecular Formula
C10H8O6S
SMILES
CC1=CC(=O)OC2=C1C=CC(=C2)OS(=O)(=O)O
InChI
InChI=1S/C10H8O6S/c1-6-4-10(11)15-9-5-7(2-3-8(6)9)16-17(12,13)14/h2-5H,1H3,(H,12,13,14)
InChIKey
FUYLLJCBCKRIAL-UHFFFAOYSA-N
Compound name
(4-methyl-2-oxochromen-7-yl) hydrogen sulfate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

62
References

1369
Patents

256.00415 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 257.01143 147.0
[M+Na]+ 278.99337 158.1
[M-H]- 254.99687 152.2
[M+NH4]+ 274.03797 163.8
[M+K]+ 294.96731 156.6
[M+H-H2O]+ 239.00141 141.6
[M+HCOO]- 301.00235 163.9
[M+CH3COO]- 315.01800 187.5
[M+Na-2H]- 276.97882 154.9
[M]+ 256.00360 154.3
[M]- 256.00470 154.3
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