CID 225987

5,6,11,12,17,18-trinaphthylenehexone

Structural Information

Molecular Formula
C30H12O6
SMILES
C1=CC=C2C(=C1)C(=O)C3=C4C(=C5C(=C3C2=O)C(=O)C6=CC=CC=C6C5=O)C(=O)C7=CC=CC=C7C4=O
InChI
InChI=1S/C30H12O6/c31-25-13-7-1-2-8-14(13)26(32)20-19(25)21-23(29(35)16-10-4-3-9-15(16)27(21)33)24-22(20)28(34)17-11-5-6-12-18(17)30(24)36/h1-12H
InChIKey
ROOIWDXDWBSWMS-UHFFFAOYSA-N
Compound name
trinaphthylene-5,6,11,12,17,18-hexone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

11
Patents

468.0634 Da
Monoisotopic Mass

5.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 469.07068 210.1
[M+Na]+ 491.05262 225.6
[M-H]- 467.05612 221.1
[M+NH4]+ 486.09722 223.1
[M+K]+ 507.02656 218.9
[M+H-H2O]+ 451.06066 196.1
[M+HCOO]- 513.06160 228.4
[M+CH3COO]- 527.07725 220.7
[M+Na-2H]- 489.03807 218.5
[M]+ 468.06285 219.4
[M]- 468.06395 219.4
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