CID 11056

548-59-4

Structural Information

Molecular Formula
C18H12O4
SMILES
C1=CC=C(C=C1)C2=C(C(=O)C(=C(C2=O)O)C3=CC=CC=C3)O
InChI
InChI=1S/C18H12O4/c19-15-13(11-7-3-1-4-8-11)16(20)18(22)14(17(15)21)12-9-5-2-6-10-12/h1-10,19,22H
InChIKey
HZKFHDXTSAYOSN-UHFFFAOYSA-N
Compound name
2,5-dihydroxy-3,6-diphenylcyclohexa-2,5-diene-1,4-dione
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

9
References

235
Patents

292.07355 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 293.08083 164.4
[M+Na]+ 315.06277 173.5
[M-H]- 291.06627 172.6
[M+NH4]+ 310.10737 178.4
[M+K]+ 331.03671 168.1
[M+H-H2O]+ 275.07081 156.3
[M+HCOO]- 337.07175 185.4
[M+CH3COO]- 351.08740 198.4
[M+Na-2H]- 313.04822 167.4
[M]+ 292.07300 163.4
[M]- 292.07410 163.4
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

patents stripe