CID 3087741

116113-04-3

Structural Information

Molecular Formula
C10H11Cl2NS
SMILES
CC1CNC(S1)C2=CC(=C(C=C2)Cl)Cl
InChI
InChI=1S/C10H11Cl2NS/c1-6-5-13-10(14-6)7-2-3-8(11)9(12)4-7/h2-4,6,10,13H,5H2,1H3
InChIKey
UTWXVZMJASPCEF-UHFFFAOYSA-N
Compound name
2-(3,4-dichlorophenyl)-5-methyl-1,3-thiazolidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

246.99893 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 248.006206 150.9
[M+Na]+ 269.988148 160.9
[M-H]- 245.991654 154.9
[M+NH4]+ 265.032753 170.4
[M+K]+ 285.962088 154.1
[M+H-H2O]+ 229.996190 146.3
[M+HCOO]- 291.997131 156.9
[M+CH3COO]- 306.012781 162.9
[M+Na-2H]- 267.973596 149.4
[M]+ 246.99838142 151.5
[M]- 246.99947858 151.5
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.