CID 6444931

Sale sodico dell'acido calcon-4-solfonico [italian]

Structural Information

Molecular Formula
C15H12O4S
SMILES
C1=CC=C(C=C1)C(=O)/C=C/C2=CC=C(C=C2)S(=O)(=O)O
InChI
InChI=1S/C15H12O4S/c16-15(13-4-2-1-3-5-13)11-8-12-6-9-14(10-7-12)20(17,18)19/h1-11H,(H,17,18,19)/b11-8+
InChIKey
LTZVBPPZKFABOA-DHZHZOJOSA-N
Compound name
4-[(E)-3-oxo-3-phenylprop-1-enyl]benzenesulfonic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

288.04562 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 289.05290 163.2
[M+Na]+ 311.03484 175.7
[M+NH4]+ 306.07944 169.9
[M+K]+ 327.00878 168.0
[M-H]- 287.03834 165.2
[M+Na-2H]- 309.02029 170.5
[M]+ 288.04507 165.9
[M]- 288.04617 165.9
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.