CID 116207

1h-imidazole, 2,2'-((2,3,5,6-tetrachloro-1,4-phenylene)bis(methylenethio))bis(4,5-dihydro-, dihydrochloride

Structural Information

Molecular Formula
C14H14Cl4N4S2
SMILES
C1CN=C(N1)SCC2=C(C(=C(C(=C2Cl)Cl)CSC3=NCCN3)Cl)Cl
InChI
InChI=1S/C14H14Cl4N4S2/c15-9-7(5-23-13-19-1-2-20-13)10(16)12(18)8(11(9)17)6-24-14-21-3-4-22-14/h1-6H2,(H,19,20)(H,21,22)
InChIKey
ZHXJGTZWHNIUDE-UHFFFAOYSA-N
Compound name
2-[[2,3,5,6-tetrachloro-4-(4,5-dihydro-1H-imidazol-2-ylsulfanylmethyl)phenyl]methylsulfanyl]-4,5-dihydro-1H-imidazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

441.9414 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 442.94868 190.5
[M+Na]+ 464.93062 200.1
[M-H]- 440.93412 190.7
[M+NH4]+ 459.97522 200.0
[M+K]+ 480.90456 192.5
[M+H-H2O]+ 424.93866 184.4
[M+HCOO]- 486.93960 177.3
[M+CH3COO]- 500.95525 196.5
[M+Na-2H]- 462.91607 181.0
[M]+ 441.94085 190.5
[M]- 441.94195 190.5
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.