CID 6259227

Acrylic acid, 3-(p-chlorophenylsulfonyl)-, 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]+ 275.013926 155.2
[M+Na]+ 296.995868 164.4
[M-H]- 272.999374 159.4
[M+NH4]+ 292.040473 172.9
[M+K]+ 312.969808 159.7
[M+H-H2O]+ 257.003910 150.5
[M+HCOO]- 319.004851 168.5
[M+CH3COO]- 333.020501 190.6
[M+Na-2H]- 294.981316 158.0
[M]+ 274.00610142 162.0
[M]- 274.00719858 162.0
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.