CID 6433837

Brn 2738416

Structural Information

Molecular Formula
C11H13NO4S
SMILES
CCOC(=O)/C=C/C1=CC=CC=C1S(=O)(=O)N
InChI
InChI=1S/C11H13NO4S/c1-2-16-11(13)8-7-9-5-3-4-6-10(9)17(12,14)15/h3-8H,2H2,1H3,(H2,12,14,15)/b8-7+
InChIKey
WMQHMYRPAFTQPV-BQYQJAHWSA-N
Compound name
ethyl (E)-3-(2-sulfamoylphenyl)prop-2-enoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

255.05653 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 256.06381 154.9
[M+Na]+ 278.04575 162.4
[M-H]- 254.04925 158.1
[M+NH4]+ 273.09035 171.7
[M+K]+ 294.01969 158.9
[M+H-H2O]+ 238.05379 148.6
[M+HCOO]- 300.05473 172.8
[M+CH3COO]- 314.07038 191.2
[M+Na-2H]- 276.03120 157.3
[M]+ 255.05598 157.8
[M]- 255.05708 157.8
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.