CID 710228

Stk868662

Structural Information

Molecular Formula
C10H7ClN2OS
SMILES
C1=CC=C(C(=C1)/C=C/2\C(=O)NC(=S)N2)Cl
InChI
InChI=1S/C10H7ClN2OS/c11-7-4-2-1-3-6(7)5-8-9(14)13-10(15)12-8/h1-5H,(H2,12,13,14,15)/b8-5+
InChIKey
HSAIZKCQBWCNNP-VMPITWQZSA-N
Compound name
(5E)-5-[(2-chlorophenyl)methylidene]-2-sulfanylideneimidazolidin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

237.99677 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 239.00405 150.7
[M+Na]+ 260.98599 160.9
[M-H]- 236.98949 152.7
[M+NH4]+ 256.03059 167.9
[M+K]+ 276.95993 152.9
[M+H-H2O]+ 220.99403 145.1
[M+HCOO]- 282.99497 159.8
[M+CH3COO]- 297.01062 162.1
[M+Na-2H]- 258.97144 149.4
[M]+ 237.99622 148.2
[M]- 237.99732 148.2
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.