CID 11272717

28984-20-5

Structural Information

Molecular Formula
C14H10S2
SMILES
C1=CC=C(C=C1)C(=S)C(=S)C2=CC=CC=C2
InChI
InChI=1S/C14H10S2/c15-13(11-7-3-1-4-8-11)14(16)12-9-5-2-6-10-12/h1-10H
InChIKey
RGGQZDHISCPFHM-UHFFFAOYSA-N
Compound name
1,2-diphenylethane-1,2-dithione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

216
Patents

242.0224 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 243.02968 149.9
[M+Na]+ 265.01162 157.3
[M-H]- 241.01512 156.2
[M+NH4]+ 260.05622 167.6
[M+K]+ 280.98556 150.8
[M+H-H2O]+ 225.01966 143.3
[M+HCOO]- 287.02060 161.9
[M+CH3COO]- 301.03625 161.7
[M+Na-2H]- 262.99707 150.7
[M]+ 242.02185 149.6
[M]- 242.02295 149.6
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