CID 145937

Eckol

Structural Information

Molecular Formula
C18H12O9
SMILES
C1=C(C=C(C=C1O)OC2=C(C=C(C3=C2OC4=C(C=C(C=C4O3)O)O)O)O)O
InChI
InChI=1S/C18H12O9/c19-7-1-8(20)3-10(2-7)25-16-12(23)6-13(24)17-18(16)27-15-11(22)4-9(21)5-14(15)26-17/h1-6,19-24H
InChIKey
PCZZRBGISTUIOA-UHFFFAOYSA-N
Compound name
4-(3,5-dihydroxyphenoxy)dibenzo-p-dioxin-1,3,6,8-tetrol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

76
References

295
Patents

372.04813 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 373.05541 180.7
[M+Na]+ 395.03735 190.1
[M-H]- 371.04085 184.7
[M+NH4]+ 390.08195 188.5
[M+K]+ 411.01129 189.2
[M+H-H2O]+ 355.04539 172.7
[M+HCOO]- 417.04633 191.8
[M+CH3COO]- 431.06198 190.1
[M+Na-2H]- 393.02280 185.8
[M]+ 372.04758 184.4
[M]- 372.04868 184.4
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