CID 3020793

4-vinyloxybenzenesulphonic acid

Structural Information

Molecular Formula
C8H8O4S
SMILES
C=COC1=CC=C(C=C1)S(=O)(=O)O
InChI
InChI=1S/C8H8O4S/c1-2-12-7-3-5-8(6-4-7)13(9,10)11/h2-6H,1H2,(H,9,10,11)
InChIKey
HSWUAGZRTRVDRA-UHFFFAOYSA-N
Compound name
4-ethenoxybenzenesulfonic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

18
Patents

200.01433 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 201.021606 137.9
[M+Na]+ 223.003548 147.2
[M-H]- 199.007054 140.9
[M+NH4]+ 218.048153 157.0
[M+K]+ 238.977488 144.1
[M+H-H2O]+ 183.011590 132.8
[M+HCOO]- 245.012531 155.9
[M+CH3COO]- 259.028181 176.6
[M+Na-2H]- 220.988996 143.1
[M]+ 200.01378142 141.3
[M]- 200.01487858 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

No literature data available for this compound.

Patent stripe

patents stripe