CID 3054912

71821-19-7

Structural Information

Molecular Formula
C18H14Cl4N2OS
SMILES
C1=CC(=C(C=C1SCOC(CN2C=CN=C2)C3=C(C=C(C=C3)Cl)Cl)Cl)Cl
InChI
InChI=1S/C18H14Cl4N2OS/c19-12-1-3-14(16(21)7-12)18(9-24-6-5-23-10-24)25-11-26-13-2-4-15(20)17(22)8-13/h1-8,10,18H,9,11H2
InChIKey
IZHBFWFWJGGAQN-UHFFFAOYSA-N
Compound name
1-[2-(2,4-dichlorophenyl)-2-[(3,4-dichlorophenyl)sulfanylmethoxy]ethyl]imidazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

445.9581 Da
Monoisotopic Mass

6.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 446.96538 203.3
[M+Na]+ 468.94732 219.6
[M+NH4]+ 463.99192 211.4
[M+K]+ 484.92126 208.4
[M-H]- 444.95082 207.6
[M+Na-2H]- 466.93277 210.6
[M]+ 445.95755 208.5
[M]- 445.95865 208.5
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.