CID 15890879

2,3-bis(phenylsulfanyl)naphthalene-1,4-dione

Structural Information

Molecular Formula
C22H14O2S2
SMILES
C1=CC=C(C=C1)SC2=C(C(=O)C3=CC=CC=C3C2=O)SC4=CC=CC=C4
InChI
InChI=1S/C22H14O2S2/c23-19-17-13-7-8-14-18(17)20(24)22(26-16-11-5-2-6-12-16)21(19)25-15-9-3-1-4-10-15/h1-14H
InChIKey
PQODPQJETIQPII-UHFFFAOYSA-N
Compound name
2,3-bis(phenylsulfanyl)naphthalene-1,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

4
References

5
Patents

374.04352 Da
Monoisotopic Mass

6.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 375.05080 183.8
[M+Na]+ 397.03274 193.1
[M-H]- 373.03624 193.8
[M+NH4]+ 392.07734 197.4
[M+K]+ 413.00668 184.7
[M+H-H2O]+ 357.04078 175.4
[M+HCOO]- 419.04172 195.8
[M+CH3COO]- 433.05737 194.1
[M+Na-2H]- 395.01819 185.9
[M]+ 374.04297 186.4
[M]- 374.04407 186.4
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