CID 22833427

157966-96-6

Structural Information

Molecular Formula
C18H22O3S
SMILES
C/C=C/C1=CC(=C(C(=C1/C=C/C)S(=O)(=O)O)/C=C/C)/C=C/C
InChI
InChI=1S/C18H22O3S/c1-5-9-14-13-15(10-6-2)17(12-8-4)18(22(19,20)21)16(14)11-7-3/h5-13H,1-4H3,(H,19,20,21)/b9-5+,10-6+,11-7+,12-8+
InChIKey
JBCCCOSVJUQMLC-HFBXSBKTSA-N
Compound name
2,3,5,6-tetrakis[(E)-prop-1-enyl]benzenesulfonic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

318.12897 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 319.13625 172.9
[M+Na]+ 341.11819 181.7
[M-H]- 317.12169 175.4
[M+NH4]+ 336.16279 188.3
[M+K]+ 357.09213 174.2
[M+H-H2O]+ 301.12623 167.3
[M+HCOO]- 363.12717 187.9
[M+CH3COO]- 377.14282 203.2
[M+Na-2H]- 339.10364 171.4
[M]+ 318.12842 177.2
[M]- 318.12952 177.2
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.