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 206.7
[M+Na]+ 420.75109 219.3
[M+NH4]+ 415.79569 213.2
[M+K]+ 436.72503 208.7
[M-H]- 396.75459 207.4
[M+Na-2H]- 418.73654 208.4
[M]+ 397.76132 210.4
[M]- 397.76242 210.4
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.