CID 3054904

71821-11-9

Structural Information

Molecular Formula
C13H14Cl2N2OS
SMILES
CSCOC(CN1C=CN=C1)C2=C(C=C(C=C2)Cl)Cl
InChI
InChI=1S/C13H14Cl2N2OS/c1-19-9-18-13(7-17-5-4-16-8-17)11-3-2-10(14)6-12(11)15/h2-6,8,13H,7,9H2,1H3
InChIKey
XNMOCUACLPCYMZ-UHFFFAOYSA-N
Compound name
1-[2-(2,4-dichlorophenyl)-2-(methylsulfanylmethoxy)ethyl]imidazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

316.0204 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 317.02768 166.7
[M+Na]+ 339.00962 176.5
[M-H]- 315.01312 170.6
[M+NH4]+ 334.05422 182.5
[M+K]+ 354.98356 170.4
[M+H-H2O]+ 299.01766 159.7
[M+HCOO]- 361.01860 173.9
[M+CH3COO]- 375.03425 201.1
[M+Na-2H]- 336.99507 165.7
[M]+ 316.01985 173.8
[M]- 316.02095 173.8
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.