CID 6294927

331461-22-4

Structural Information

Molecular Formula
C23H19ClO6S
SMILES
COC1=CC(=C(C=C1)/C=C/C(=O)C2=CC=C(C=C2)OS(=O)(=O)C3=CC=C(C=C3)Cl)OC
InChI
InChI=1S/C23H19ClO6S/c1-28-20-11-5-17(23(15-20)29-2)6-14-22(25)16-3-9-19(10-4-16)30-31(26,27)21-12-7-18(24)8-13-21/h3-15H,1-2H3/b14-6+
InChIKey
AQVQZZHIXGLARC-MKMNVTDBSA-N
Compound name
[4-[(E)-3-(2,4-dimethoxyphenyl)prop-2-enoyl]phenyl] 4-chlorobenzenesulfonate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

458.05908 Da
Monoisotopic Mass

5.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 459.06636 204.3
[M+Na]+ 481.04830 212.6
[M-H]- 457.05180 214.5
[M+NH4]+ 476.09290 213.9
[M+K]+ 497.02224 207.0
[M+H-H2O]+ 441.05634 195.6
[M+HCOO]- 503.05728 216.8
[M+CH3COO]- 517.07293 226.7
[M+Na-2H]- 479.03375 205.0
[M]+ 458.05853 214.3
[M]- 458.05963 214.3
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

No patent data available for this compound.