CID 111201

Dtxsid3064279

Structural Information

Molecular Formula
C18H9Cl3O2S2
SMILES
CC1=CC(=CC2=C1C(=O)C(=C3C(=O)C4=C(C(=CC(=C4S3)Cl)Cl)C)S2)Cl
InChI
InChI=1S/C18H9Cl3O2S2/c1-6-3-8(19)4-11-12(6)14(22)17(24-11)18-15(23)13-7(2)9(20)5-10(21)16(13)25-18/h3-5H,1-2H3
InChIKey
TULCTDCFTZEZKK-UHFFFAOYSA-N
Compound name
5,7-dichloro-2-(6-chloro-4-methyl-3-oxo-1-benzothiophen-2-ylidene)-4-methyl-1-benzothiophen-3-one
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

425.91095 Da
Monoisotopic Mass

6.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 426.91823 197.4
[M+Na]+ 448.90017 212.5
[M+NH4]+ 443.94477 207.2
[M+K]+ 464.87411 201.9
[M-H]- 424.90367 201.6
[M+Na-2H]- 446.88562 200.0
[M]+ 425.91040 202.6
[M]- 425.91150 202.6
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.