CID 377855

Nsc659468

Structural Information

Molecular Formula
C20H12Cl2S2
SMILES
C1=CC=C2C(=C1)C(=S)SC2(C3=CC=C(C=C3)Cl)C4=CC=C(C=C4)Cl
InChI
InChI=1S/C20H12Cl2S2/c21-15-9-5-13(6-10-15)20(14-7-11-16(22)12-8-14)18-4-2-1-3-17(18)19(23)24-20/h1-12H
InChIKey
OTJJSPSKEISBIM-UHFFFAOYSA-N
Compound name
3,3-bis(4-chlorophenyl)-2-benzothiophene-1-thione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

385.97574 Da
Monoisotopic Mass

6.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 386.98302 184.6
[M+Na]+ 408.96496 197.3
[M-H]- 384.96846 195.2
[M+NH4]+ 404.00956 203.7
[M+K]+ 424.93890 187.6
[M+H-H2O]+ 368.97300 179.9
[M+HCOO]- 430.97394 188.5
[M+CH3COO]- 444.98959 196.0
[M+Na-2H]- 406.95041 184.5
[M]+ 385.97519 189.9
[M]- 385.97629 189.9
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.