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]+ 313.070676 167.6
[M+Na]+ 335.052618 174.7
[M-H]- 311.056124 177.5
[M+NH4]+ 330.097223 181.0
[M+K]+ 351.026558 175.9
[M+H-H2O]+ 295.060660 163.7
[M+HCOO]- 357.061601 183.2
[M+CH3COO]- 371.077251 179.5
[M+Na-2H]- 333.038066 171.1
[M]+ 312.06285142 171.4
[M]- 312.06394858 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

literature stripe

Patent stripe

patents stripe