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
3
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]+ 319.136246 172.9
[M+Na]+ 341.118188 181.7
[M-H]- 317.121694 175.4
[M+NH4]+ 336.162793 188.3
[M+K]+ 357.092128 174.2
[M+H-H2O]+ 301.126230 167.3
[M+HCOO]- 363.127171 187.9
[M+CH3COO]- 377.142821 203.2
[M+Na-2H]- 339.103636 171.4
[M]+ 318.12842142 177.2
[M]- 318.12951858 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.