CID 3075570

186424-08-8

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]+ 227.040416 147.8
[M+Na]+ 249.022358 158.0
[M-H]- 225.025864 151.1
[M+NH4]+ 244.066963 166.4
[M+K]+ 264.996298 151.7
[M+H-H2O]+ 209.030400 141.8
[M+HCOO]- 271.031341 157.8
[M+CH3COO]- 285.046991 160.0
[M+Na-2H]- 247.007806 146.9
[M]+ 226.03259142 147.3
[M]- 226.03368858 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.