CID 110470

68527-81-1

Structural Information

Molecular Formula
C18H20O4
SMILES
CC1(C2=CC(=C(C=C2C(C3=CC(=C(C=C31)O)O)(C)C)O)O)C
InChI
InChI=1S/C18H20O4/c1-17(2)9-5-13(19)15(21)7-11(9)18(3,4)12-8-16(22)14(20)6-10(12)17/h5-8,19-22H,1-4H3
InChIKey
OVYOPMBBXJXHQV-UHFFFAOYSA-N
Compound name
9,9,10,10-tetramethylanthracene-2,3,6,7-tetrol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

300.13617 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 301.14345 167.6
[M+Na]+ 323.12539 181.5
[M+NH4]+ 318.16999 178.2
[M+K]+ 339.09933 171.8
[M-H]- 299.12889 169.4
[M+Na-2H]- 321.11084 173.7
[M]+ 300.13562 170.5
[M]- 300.13672 170.5
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.