CID 36649

36066-03-2

Structural Information

Molecular Formula
C11H10Cl2N2OS
SMILES
C1CN=C(N1)SCC(=O)C2=CC(=C(C=C2)Cl)Cl
InChI
InChI=1S/C11H10Cl2N2OS/c12-8-2-1-7(5-9(8)13)10(16)6-17-11-14-3-4-15-11/h1-2,5H,3-4,6H2,(H,14,15)
InChIKey
SETGDZSQIAXGBV-UHFFFAOYSA-N
Compound name
1-(3,4-dichlorophenyl)-2-(4,5-dihydro-1H-imidazol-2-ylsulfanyl)ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

7
References

0
Patents

287.98907 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 288.99635 159.2
[M+Na]+ 310.97829 168.8
[M-H]- 286.98179 161.9
[M+NH4]+ 306.02289 175.4
[M+K]+ 326.95223 162.0
[M+H-H2O]+ 270.98633 153.2
[M+HCOO]- 332.98727 164.5
[M+CH3COO]- 347.00292 170.1
[M+Na-2H]- 308.96374 157.9
[M]+ 287.98852 161.7
[M]- 287.98962 161.7
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.