CID 275179

2,5-dihydroxy-3,6-bis(4-methylphenyl)benzo-1,4-quinone

Structural Information

Molecular Formula
C20H16O4
SMILES
CC1=CC=C(C=C1)C2=C(C(=O)C(=C(C2=O)O)C3=CC=C(C=C3)C)O
InChI
InChI=1S/C20H16O4/c1-11-3-7-13(8-4-11)15-17(21)19(23)16(20(24)18(15)22)14-9-5-12(2)6-10-14/h3-10,21,24H,1-2H3
InChIKey
QUOHQFDAFULRSX-UHFFFAOYSA-N
Compound name
2,5-dihydroxy-3,6-bis(4-methylphenyl)cyclohexa-2,5-diene-1,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

5
References

0
Patents

320.10486 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 321.11214 172.9
[M+Na]+ 343.09408 182.8
[M-H]- 319.09758 181.4
[M+NH4]+ 338.13868 186.3
[M+K]+ 359.06802 177.3
[M+H-H2O]+ 303.10212 164.7
[M+HCOO]- 365.10306 193.1
[M+CH3COO]- 379.11871 207.0
[M+Na-2H]- 341.07953 173.4
[M]+ 320.10431 173.4
[M]- 320.10541 173.4
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

No patent data available for this compound.