CID 6155833

331460-77-6

Structural Information

Molecular Formula
C16H12Cl2O4S
SMILES
CS(=O)(=O)OC1=CC=C(C=C1)C(=O)/C=C/C2=C(C=C(C=C2)Cl)Cl
InChI
InChI=1S/C16H12Cl2O4S/c1-23(20,21)22-14-7-3-12(4-8-14)16(19)9-5-11-2-6-13(17)10-15(11)18/h2-10H,1H3/b9-5+
InChIKey
TWRUMAROCHYCQN-WEVVVXLNSA-N
Compound name
[4-[(E)-3-(2,4-dichlorophenyl)prop-2-enoyl]phenyl] methanesulfonate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

369.98334 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 370.99062 181.1
[M+Na]+ 392.97256 195.8
[M+NH4]+ 388.01716 188.2
[M+K]+ 408.94650 186.3
[M-H]- 368.97606 183.5
[M+Na-2H]- 390.95801 188.1
[M]+ 369.98279 185.0
[M]- 369.98389 185.0
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.