CID 779298

391229-93-9

Structural Information

Molecular Formula
C14H13NO5S
SMILES
C1=COC(=C1)CNS(=O)(=O)C2=CC=C(C=C2)/C=C/C(=O)O
InChI
InChI=1S/C14H13NO5S/c16-14(17)8-5-11-3-6-13(7-4-11)21(18,19)15-10-12-2-1-9-20-12/h1-9,15H,10H2,(H,16,17)/b8-5+
InChIKey
VIBKQPVIIPWFQU-VMPITWQZSA-N
Compound name
(E)-3-[4-(furan-2-ylmethylsulfamoyl)phenyl]prop-2-enoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

0
Patents

307.05145 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 308.05873 168.6
[M+Na]+ 330.04067 177.7
[M+NH4]+ 325.08527 173.8
[M+K]+ 346.01461 173.8
[M-H]- 306.04417 170.5
[M+Na-2H]- 328.02612 172.9
[M]+ 307.05090 170.6
[M]- 307.05200 170.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.