CID 1812000

3,4,5,3',4',5'-hexachloro-2,2'-bithiophene

Structural Information

Molecular Formula
C8Cl6S2
SMILES
C1(=C(C(=C(S1)Cl)Cl)Cl)C2=C(C(=C(S2)Cl)Cl)Cl
InChI
InChI=1S/C8Cl6S2/c9-1-3(11)7(13)15-5(1)6-2(10)4(12)8(14)16-6
InChIKey
NZHAXZYBKDCBBU-UHFFFAOYSA-N
Compound name
2,3,4-trichloro-5-(3,4,5-trichlorothiophen-2-yl)thiophene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

369.75726 Da
Monoisotopic Mass

7.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 370.76454 183.3
[M+Na]+ 392.74648 194.3
[M-H]- 368.74998 184.8
[M+NH4]+ 387.79108 198.8
[M+K]+ 408.72042 189.5
[M+H-H2O]+ 352.75452 181.9
[M+HCOO]- 414.75546 170.3
[M+CH3COO]- 428.77111 190.6
[M+Na-2H]- 390.73193 173.5
[M]+ 369.75671 183.7
[M]- 369.75781 183.7
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

No patent data available for this compound.