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
2
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]+ 301.143446 168.4
[M+Na]+ 323.125388 180.1
[M-H]- 299.128894 170.3
[M+NH4]+ 318.169993 188.4
[M+K]+ 339.099328 174.9
[M+H-H2O]+ 283.133430 163.9
[M+HCOO]- 345.134371 182.5
[M+CH3COO]- 359.150021 200.8
[M+Na-2H]- 321.110836 173.3
[M]+ 300.13562142 170.0
[M]- 300.13671858 170.0
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.