CID 312602

18093-43-1

Structural Information

Molecular Formula
C30H18O2S2
SMILES
C1=CC=C2C=C(C=CC2=C1)SC3=C(C(=O)C4=CC=CC=C4C3=O)SC5=CC6=CC=CC=C6C=C5
InChI
InChI=1S/C30H18O2S2/c31-27-25-11-5-6-12-26(25)28(32)30(34-24-16-14-20-8-2-4-10-22(20)18-24)29(27)33-23-15-13-19-7-1-3-9-21(19)17-23/h1-18H
InChIKey
KPICMJZBYHEMQM-UHFFFAOYSA-N
Compound name
2,3-bis(naphthalen-2-ylsulfanyl)naphthalene-1,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

474.07483 Da
Monoisotopic Mass

8.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 475.08211 209.7
[M+Na]+ 497.06405 219.9
[M-H]- 473.06755 220.7
[M+NH4]+ 492.10865 220.7
[M+K]+ 513.03799 210.3
[M+H-H2O]+ 457.07209 199.5
[M+HCOO]- 519.07303 219.6
[M+CH3COO]- 533.08868 218.2
[M+Na-2H]- 495.04950 214.2
[M]+ 474.07428 214.1
[M]- 474.07538 214.1
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.