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 155.2
[M+Na]+ 296.99587 164.4
[M-H]- 272.99937 159.4
[M+NH4]+ 292.04047 172.9
[M+K]+ 312.96981 159.7
[M+H-H2O]+ 257.00391 150.5
[M+HCOO]- 319.00485 168.5
[M+CH3COO]- 333.02050 190.6
[M+Na-2H]- 294.98132 158.0
[M]+ 274.00610 162.0
[M]- 274.00720 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.