CID 51050187

935280-42-5

Structural Information

Molecular Formula
C22H12S2
SMILES
C1=CC=C2C=C3C(=CC2=C1)C4=C(S3)C5=CC6=CC=CC=C6C=C5S4
InChI
InChI=1S/C22H12S2/c1-3-7-15-11-19-17(9-13(15)5-1)21-22(23-19)18-10-14-6-2-4-8-16(14)12-20(18)24-21/h1-12H
InChIKey
CZWHMRTTWFJMBC-UHFFFAOYSA-N
Compound name
12,24-dithiahexacyclo[11.11.0.02,11.04,9.014,23.016,21]tetracosa-1(13),2,4,6,8,10,14,16,18,20,22-undecaene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

1556
Patents

340.03806 Da
Monoisotopic Mass

7.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 341.04534 169.1
[M+Na]+ 363.02728 189.0
[M+NH4]+ 358.07188 183.4
[M+K]+ 379.00122 176.4
[M-H]- 339.03078 177.1
[M+Na-2H]- 361.01273 178.2
[M]+ 340.03751 176.0
[M]- 340.03861 176.0
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