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 193.4
[M+Na]+ 468.94732 202.9
[M-H]- 444.95082 197.5
[M+NH4]+ 463.99192 203.7
[M+K]+ 484.92126 195.7
[M+H-H2O]+ 428.95536 185.7
[M+HCOO]- 490.95630 189.5
[M+CH3COO]- 504.97195 201.1
[M+Na-2H]- 466.93277 188.9
[M]+ 445.95755 199.7
[M]- 445.95865 199.7
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.