CID 6164632

331460-66-3

Structural Information

Molecular Formula
C16H13ClO4S
SMILES
CS(=O)(=O)OC1=CC=C(C=C1)/C=C/C(=O)C2=CC=C(C=C2)Cl
InChI
InChI=1S/C16H13ClO4S/c1-22(19,20)21-15-9-2-12(3-10-15)4-11-16(18)13-5-7-14(17)8-6-13/h2-11H,1H3/b11-4+
InChIKey
VEUSDGOAVOQQPU-NYYWCZLTSA-N
Compound name
[4-[(E)-3-(4-chlorophenyl)-3-oxoprop-1-enyl]phenyl] methanesulfonate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

336.0223 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 337.02958 173.9
[M+Na]+ 359.01152 187.9
[M+NH4]+ 354.05612 181.0
[M+K]+ 374.98546 178.9
[M-H]- 335.01502 176.4
[M+Na-2H]- 356.99697 181.4
[M]+ 336.02175 177.4
[M]- 336.02285 177.4
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.