CID 6435232

73663-93-1

Structural Information

Molecular Formula
C11H12O3S
SMILES
CCOC(=O)/C=C\S(=O)C1=CC=CC=C1
InChI
InChI=1S/C11H12O3S/c1-2-14-11(12)8-9-15(13)10-6-4-3-5-7-10/h3-9H,2H2,1H3/b9-8-
InChIKey
CSHWPMGIWDFXRH-HJWRWDBZSA-N
Compound name
ethyl (Z)-3-(benzenesulfinyl)prop-2-enoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

224.05072 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 225.057996 148.0
[M+Na]+ 247.039938 154.9
[M-H]- 223.043444 151.6
[M+NH4]+ 242.084543 166.5
[M+K]+ 263.013878 152.2
[M+H-H2O]+ 207.047980 141.8
[M+HCOO]- 269.048921 165.8
[M+CH3COO]- 283.064571 185.0
[M+Na-2H]- 245.025386 149.6
[M]+ 224.05017142 151.6
[M]- 224.05126858 151.6
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.