CID 458182

2,5-bis(p-hydroxyphenyl)-p-quinone, diacetate

Structural Information

Molecular Formula
C22H16O6
SMILES
CC(=O)OC1=CC=C(C=C1)C2=CC(=O)C(=CC2=O)C3=CC=C(C=C3)OC(=O)C
InChI
InChI=1S/C22H16O6/c1-13(23)27-17-7-3-15(4-8-17)19-11-22(26)20(12-21(19)25)16-5-9-18(10-6-16)28-14(2)24/h3-12H,1-2H3
InChIKey
IPSHRBARBNBGQM-UHFFFAOYSA-N
Compound name
[4-[4-(4-acetyloxyphenyl)-3,6-dioxocyclohexa-1,4-dien-1-yl]phenyl] acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

376.0947 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 377.10198 184.5
[M+Na]+ 399.08392 192.2
[M-H]- 375.08742 194.8
[M+NH4]+ 394.12852 195.9
[M+K]+ 415.05786 189.3
[M+H-H2O]+ 359.09196 174.9
[M+HCOO]- 421.09290 205.8
[M+CH3COO]- 435.10855 218.4
[M+Na-2H]- 397.06937 184.2
[M]+ 376.09415 188.5
[M]- 376.09525 188.5
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.