CID 3087739

2-(4-chlorophenyl)-5-methylthiazolidine

Structural Information

Molecular Formula
C10H12ClNS
SMILES
CC1CNC(S1)C2=CC=C(C=C2)Cl
InChI
InChI=1S/C10H12ClNS/c1-7-6-12-10(13-7)8-2-4-9(11)5-3-8/h2-5,7,10,12H,6H2,1H3
InChIKey
NHCGATXWTDDHSO-UHFFFAOYSA-N
Compound name
2-(4-chlorophenyl)-5-methyl-1,3-thiazolidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

213.0379 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 214.04518 144.4
[M+Na]+ 236.02712 153.5
[M-H]- 212.03062 148.8
[M+NH4]+ 231.07172 164.7
[M+K]+ 252.00106 147.8
[M+H-H2O]+ 196.03516 139.1
[M+HCOO]- 258.03610 155.6
[M+CH3COO]- 272.05175 157.0
[M+Na-2H]- 234.01257 144.4
[M]+ 213.03735 143.8
[M]- 213.03845 143.8
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.