CID 3075570

5-(2-chlorophenyl)-1-methyl-2-imidazolidinethione

Structural Information

Molecular Formula
C10H11ClN2S
SMILES
CN1C(CNC1=S)C2=CC=CC=C2Cl
InChI
InChI=1S/C10H11ClN2S/c1-13-9(6-12-10(13)14)7-4-2-3-5-8(7)11/h2-5,9H,6H2,1H3,(H,12,14)
InChIKey
ANGCBGKCYQIUSQ-UHFFFAOYSA-N
Compound name
5-(2-chlorophenyl)-1-methylimidazolidine-2-thione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

226.03314 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 227.04042 147.8
[M+Na]+ 249.02236 158.0
[M-H]- 225.02586 151.1
[M+NH4]+ 244.06696 166.4
[M+K]+ 264.99630 151.7
[M+H-H2O]+ 209.03040 141.8
[M+HCOO]- 271.03134 157.8
[M+CH3COO]- 285.04699 160.0
[M+Na-2H]- 247.00781 146.9
[M]+ 226.03259 147.3
[M]- 226.03369 147.3
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.