CID 22473

O-methoxyphenyl sulfate

Structural Information

Molecular Formula
C7H8O5S
SMILES
COC1=CC=CC=C1OS(=O)(=O)O
InChI
InChI=1S/C7H8O5S/c1-11-6-4-2-3-5-7(6)12-13(8,9)10/h2-5H,1H3,(H,8,9,10)
InChIKey
AQTYXAPIHMXAAV-UHFFFAOYSA-N
Compound name
(2-methoxyphenyl) hydrogen sulfate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

1
References

411
Patents

204.00925 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 205.016526 137.5
[M+Na]+ 226.998468 146.7
[M-H]- 203.001974 140.6
[M+NH4]+ 222.043073 156.4
[M+K]+ 242.972408 145.0
[M+H-H2O]+ 187.006510 132.3
[M+HCOO]- 249.007451 155.9
[M+CH3COO]- 263.023101 176.7
[M+Na-2H]- 224.983916 143.3
[M]+ 204.00870142 142.6
[M]- 204.00979858 142.6
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