CID 5201342

2-(2,3,5,6-tetrachlorophenyl)-3,4,5-trichlorothiophene

Structural Information

Molecular Formula
C10HCl7S
SMILES
C1=C(C(=C(C(=C1Cl)Cl)C2=C(C(=C(S2)Cl)Cl)Cl)Cl)Cl
InChI
InChI=1S/C10HCl7S/c11-2-1-3(12)6(14)4(5(2)13)9-7(15)8(16)10(17)18-9/h1H
InChIKey
KDSDCDNFHRZMDM-UHFFFAOYSA-N
Compound name
2,3,4-trichloro-5-(2,3,5,6-tetrachlorophenyl)thiophene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

397.76187 Da
Monoisotopic Mass

8.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 398.76915 188.6
[M+Na]+ 420.75109 197.0
[M-H]- 396.75459 186.0
[M+NH4]+ 415.79569 199.9
[M+K]+ 436.72503 193.5
[M+H-H2O]+ 380.75913 186.0
[M+HCOO]- 442.76007 172.8
[M+CH3COO]- 456.77572 193.2
[M+Na-2H]- 418.73654 178.8
[M]+ 397.76132 184.7
[M]- 397.76242 184.7
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.