CID 6426766

4-vinylphenol sulfate

Structural Information

Molecular Formula
C8H8O4S
SMILES
C=CC1=CC=C(C=C1)OS(=O)(=O)O
InChI
InChI=1S/C8H8O4S/c1-2-7-3-5-8(6-4-7)12-13(9,10)11/h2-6H,1H2,(H,9,10,11)
InChIKey
IETVQHUKTKKBFF-UHFFFAOYSA-N
Compound name
(4-ethenylphenyl) hydrogen sulfate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

1151
Patents

200.01433 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 201.02161 137.9
[M+Na]+ 223.00355 147.2
[M-H]- 199.00705 140.9
[M+NH4]+ 218.04815 157.0
[M+K]+ 238.97749 144.1
[M+H-H2O]+ 183.01159 132.8
[M+HCOO]- 245.01253 155.9
[M+CH3COO]- 259.02818 176.6
[M+Na-2H]- 220.98900 143.1
[M]+ 200.01378 141.3
[M]- 200.01488 141.3
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