CID 11009249

Benzenesulfonic acid, 4-ethenyl-, ethyl ester

Structural Information

Molecular Formula
C10H12O3S
SMILES
CCOS(=O)(=O)C1=CC=C(C=C1)C=C
InChI
InChI=1S/C10H12O3S/c1-3-9-5-7-10(8-6-9)14(11,12)13-4-2/h3,5-8H,1,4H2,2H3
InChIKey
YAUZJFRMTBUCGL-UHFFFAOYSA-N
Compound name
ethyl 4-ethenylbenzenesulfonate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

144
Patents

212.05072 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 213.057996 143.0
[M+Na]+ 235.039938 152.1
[M-H]- 211.043444 147.2
[M+NH4]+ 230.084543 162.5
[M+K]+ 251.013878 149.0
[M+H-H2O]+ 195.047980 137.5
[M+HCOO]- 257.048921 161.7
[M+CH3COO]- 271.064571 183.2
[M+Na-2H]- 233.025386 147.5
[M]+ 212.05017142 147.6
[M]- 212.05126858 147.6
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

patents stripe