CID 4390946

1,2-bis(1,3-benzodioxol-5-yl)-1,2-ethanediol

Structural Information

Molecular Formula
C16H14O6
SMILES
C1OC2=C(O1)C=C(C=C2)C(C(C3=CC4=C(C=C3)OCO4)O)O
InChI
InChI=1S/C16H14O6/c17-15(9-1-3-11-13(5-9)21-7-19-11)16(18)10-2-4-12-14(6-10)22-8-20-12/h1-6,15-18H,7-8H2
InChIKey
ZRPMNODCXDTMNY-UHFFFAOYSA-N
Compound name
1,2-bis(1,3-benzodioxol-5-yl)ethane-1,2-diol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

9
Patents

302.07904 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 303.08632 164.1
[M+Na]+ 325.06826 175.2
[M+NH4]+ 320.11286 171.3
[M+K]+ 341.04220 176.2
[M-H]- 301.07176 171.2
[M+Na-2H]- 323.05371 165.4
[M]+ 302.07849 167.6
[M]- 302.07959 167.6
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

patents stripe