CID 3087741

2-(3,4-dichlorophenyl)-5-methylthiazolidine

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]+ 248.00621 150.9
[M+Na]+ 269.98815 160.9
[M-H]- 245.99165 154.9
[M+NH4]+ 265.03275 170.4
[M+K]+ 285.96209 154.1
[M+H-H2O]+ 229.99619 146.3
[M+HCOO]- 291.99713 156.9
[M+CH3COO]- 306.01278 162.9
[M+Na-2H]- 267.97360 149.4
[M]+ 246.99838 151.5
[M]- 246.99948 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.