CID 92015

9,10-dihydroanthracene-1,4,5,8,9,10-hexol

Structural Information

Molecular Formula
C14H12O6
SMILES
C1=CC(=C2C(C3=C(C=CC(=C3C(C2=C1O)O)O)O)O)O
InChI
InChI=1S/C14H12O6/c15-5-1-2-6(16)10-9(5)13(19)11-7(17)3-4-8(18)12(11)14(10)20/h1-4,13-20H
InChIKey
JXWXPAFRMYIIKO-UHFFFAOYSA-N
Compound name
9,10-dihydroanthracene-1,4,5,8,9,10-hexol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

276.0634 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 277.070676 157.1
[M+Na]+ 299.052618 166.9
[M-H]- 275.056124 156.1
[M+NH4]+ 294.097223 172.1
[M+K]+ 315.026558 162.1
[M+H-H2O]+ 259.060660 152.2
[M+HCOO]- 321.061601 169.8
[M+CH3COO]- 335.077251 190.5
[M+Na-2H]- 297.038066 160.9
[M]+ 276.06285142 155.8
[M]- 276.06394858 155.8
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.