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 176.3
[M+Na]+ 392.97256 186.6
[M-H]- 368.97606 183.5
[M+NH4]+ 388.01716 190.7
[M+K]+ 408.94650 179.7
[M+H-H2O]+ 352.98060 171.2
[M+HCOO]- 414.98154 184.5
[M+CH3COO]- 428.99719 208.7
[M+Na-2H]- 390.95801 177.5
[M]+ 369.98279 184.6
[M]- 369.98389 184.6
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.