CID 6435146

Brn 0822911

Structural Information

Molecular Formula
C16H10Cl2N2OS
SMILES
C1=CC(=CC(=C1)Cl)N2C(=O)/C(=C/C3=CC=C(C=C3)Cl)/NC2=S
InChI
InChI=1S/C16H10Cl2N2OS/c17-11-6-4-10(5-7-11)8-14-15(21)20(16(22)19-14)13-3-1-2-12(18)9-13/h1-9H,(H,19,22)/b14-8-
InChIKey
BFXYKPAHAMDZGE-ZSOIEALJSA-N
Compound name
(5Z)-3-(3-chlorophenyl)-5-[(4-chlorophenyl)methylidene]-2-sulfanylideneimidazolidin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

347.98907 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 348.99635 178.1
[M+Na]+ 370.97829 189.5
[M-H]- 346.98179 184.1
[M+NH4]+ 366.02289 192.1
[M+K]+ 386.95223 179.7
[M+H-H2O]+ 330.98633 171.2
[M+HCOO]- 392.98727 183.1
[M+CH3COO]- 407.00292 188.4
[M+Na-2H]- 368.96374 174.5
[M]+ 347.98852 179.2
[M]- 347.98962 179.2
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.