CID 6259227

3-(p-chlorophenylsulfonyl)acrylic acid ethyl ester

Structural Information

Molecular Formula
C11H11ClO4S
SMILES
CCOC(=O)/C=C/S(=O)(=O)C1=CC=C(C=C1)Cl
InChI
InChI=1S/C11H11ClO4S/c1-2-16-11(13)7-8-17(14,15)10-5-3-9(12)4-6-10/h3-8H,2H2,1H3/b8-7+
InChIKey
VVCOXWLACWFIFD-BQYQJAHWSA-N
Compound name
ethyl (E)-3-(4-chlorophenyl)sulfonylprop-2-enoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

274.00665 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 275.01393 158.6
[M+Na]+ 296.99587 170.2
[M+NH4]+ 292.04047 165.2
[M+K]+ 312.96981 162.6
[M-H]- 272.99937 158.2
[M+Na-2H]- 294.98132 163.0
[M]+ 274.00610 160.7
[M]- 274.00720 160.7
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.