CID 394543

Nsc698088

Structural Information

Molecular Formula
C30H14O6
SMILES
C1=CC=C2C(=C1)C(=O)C=C(C2=O)C3=C(C(=O)C4=CC=CC=C4C3=O)C5=CC(=O)C6=CC=CC=C6C5=O
InChI
InChI=1S/C30H14O6/c31-23-13-21(27(33)17-9-3-1-7-15(17)23)25-26(30(36)20-12-6-5-11-19(20)29(25)35)22-14-24(32)16-8-2-4-10-18(16)28(22)34/h1-14H
InChIKey
JIVXUZHUGUHWIF-UHFFFAOYSA-N
Compound name
2,3-bis(1,4-dioxonaphthalen-2-yl)naphthalene-1,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

470.07904 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 471.08632 211.3
[M+Na]+ 493.06826 221.1
[M-H]- 469.07176 223.6
[M+NH4]+ 488.11286 221.0
[M+K]+ 509.04220 214.7
[M+H-H2O]+ 453.07630 198.4
[M+HCOO]- 515.07724 226.6
[M+CH3COO]- 529.09289 220.1
[M+Na-2H]- 491.05371 212.0
[M]+ 470.07849 212.0
[M]- 470.07959 212.0
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

No patent data available for this compound.