CID 42607653

Galiposin

Structural Information

Molecular Formula
C17H12O6
SMILES
C1OC2=C(O1)C=C(C=C2)/C(=C/C(=O)C3=CC4=C(C=C3)OCO4)/O
InChI
InChI=1S/C17H12O6/c18-12(10-1-3-14-16(5-10)22-8-20-14)7-13(19)11-2-4-15-17(6-11)23-9-21-15/h1-7,18H,8-9H2/b12-7-
InChIKey
AFLGTFMAMFQGGU-GHXNOFRVSA-N
Compound name
(Z)-1,3-bis(1,3-benzodioxol-5-yl)-3-hydroxyprop-2-en-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

312.0634 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 313.07068 167.6
[M+Na]+ 335.05262 174.7
[M-H]- 311.05612 177.5
[M+NH4]+ 330.09722 181.0
[M+K]+ 351.02656 175.9
[M+H-H2O]+ 295.06066 163.7
[M+HCOO]- 357.06160 183.2
[M+CH3COO]- 371.07725 179.5
[M+Na-2H]- 333.03807 171.1
[M]+ 312.06285 171.4
[M]- 312.06395 171.4
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.