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 172.2
[M+Na]+ 359.01152 181.4
[M-H]- 335.01502 179.5
[M+NH4]+ 354.05612 187.2
[M+K]+ 374.98546 175.5
[M+H-H2O]+ 319.01956 165.9
[M+HCOO]- 381.02050 185.4
[M+CH3COO]- 395.03615 203.2
[M+Na-2H]- 356.99697 174.5
[M]+ 336.02175 178.9
[M]- 336.02285 178.9
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.