CID 308149

57998-98-8

Structural Information

Molecular Formula
C26H18O6
SMILES
CC1=C(C(=O)C2=C(C=CC(=C2C1=O)OC(=O)C3=CC=CC=C3)OC(=O)C4=CC=CC=C4)C
InChI
InChI=1S/C26H18O6/c1-15-16(2)24(28)22-20(32-26(30)18-11-7-4-8-12-18)14-13-19(21(22)23(15)27)31-25(29)17-9-5-3-6-10-17/h3-14H,1-2H3
InChIKey
LPLVIXJGZXJADR-UHFFFAOYSA-N
Compound name
(4-benzoyloxy-6,7-dimethyl-5,8-dioxonaphthalen-1-yl) benzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

426.11035 Da
Monoisotopic Mass

5.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 427.11763 199.7
[M+Na]+ 449.09957 207.3
[M-H]- 425.10307 210.5
[M+NH4]+ 444.14417 209.7
[M+K]+ 465.07351 203.5
[M+H-H2O]+ 409.10761 189.0
[M+HCOO]- 471.10855 218.8
[M+CH3COO]- 485.12420 229.5
[M+Na-2H]- 447.08502 199.5
[M]+ 426.10980 203.8
[M]- 426.11090 203.8
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.