CID 5870327

331460-82-3

Structural Information

Molecular Formula
C17H14O6S
SMILES
CS(=O)(=O)OC1=CC=C(C=C1)C(=O)/C=C/C2=CC3=C(C=C2)OCO3
InChI
InChI=1S/C17H14O6S/c1-24(19,20)23-14-6-4-13(5-7-14)15(18)8-2-12-3-9-16-17(10-12)22-11-21-16/h2-10H,11H2,1H3/b8-2+
InChIKey
NIRAUKLDARHTRI-KRXBUXKQSA-N
Compound name
[4-[(E)-3-(1,3-benzodioxol-5-yl)prop-2-enoyl]phenyl] methanesulfonate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

346.05112 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 347.05840 175.1
[M+Na]+ 369.04034 186.8
[M+NH4]+ 364.08494 181.3
[M+K]+ 385.01428 182.3
[M-H]- 345.04384 179.2
[M+Na-2H]- 367.02579 179.3
[M]+ 346.05057 178.3
[M]- 346.05167 178.3
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.