CID 458179

16688-88-3

Structural Information

Molecular Formula
C18H12O4
SMILES
C1=CC(=CC=C1C2=CC(=O)C(=CC2=O)C3=CC=C(C=C3)O)O
InChI
InChI=1S/C18H12O4/c19-13-5-1-11(2-6-13)15-9-18(22)16(10-17(15)21)12-3-7-14(20)8-4-12/h1-10,19-20H
InChIKey
ANAHUTWMJDYFGN-UHFFFAOYSA-N
Compound name
2,5-bis(4-hydroxyphenyl)cyclohexa-2,5-diene-1,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

292.07355 Da
Monoisotopic Mass

2.6
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

No literature data available for this compound.

Patent stripe

No patent data available for this compound.