CID 23735675

Naphthalene-1,8-diyl dibenzoate

Structural Information

Molecular Formula
C24H16O4
SMILES
C1=CC=C(C=C1)C(=O)OC2=CC=CC3=C2C(=CC=C3)OC(=O)C4=CC=CC=C4
InChI
InChI=1S/C24H16O4/c25-23(18-9-3-1-4-10-18)27-20-15-7-13-17-14-8-16-21(22(17)20)28-24(26)19-11-5-2-6-12-19/h1-16H
InChIKey
DFCIKCMSXYOIQD-UHFFFAOYSA-N
Compound name
(8-benzoyloxynaphthalen-1-yl) benzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

80
Patents

368.10486 Da
Monoisotopic Mass

6.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 369.11214 187.4
[M+Na]+ 391.09408 193.4
[M-H]- 367.09758 197.5
[M+NH4]+ 386.13868 199.1
[M+K]+ 407.06802 188.7
[M+H-H2O]+ 351.10212 176.8
[M+HCOO]- 413.10306 208.1
[M+CH3COO]- 427.11871 197.4
[M+Na-2H]- 389.07953 191.6
[M]+ 368.10431 189.0
[M]- 368.10541 189.0
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

patents stripe