CID 217562

38920-91-1

Structural Information

Molecular Formula
C13H18ClNOS
SMILES
C1CSCN1CCCCOC2=CC(=CC=C2)Cl
InChI
InChI=1S/C13H18ClNOS/c14-12-4-3-5-13(10-12)16-8-2-1-6-15-7-9-17-11-15/h3-5,10H,1-2,6-9,11H2
InChIKey
YUBPEBLOZNCENP-UHFFFAOYSA-N
Compound name
3-[4-(3-chlorophenoxy)butyl]-1,3-thiazolidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

271.07977 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 272.08705 161.1
[M+Na]+ 294.06899 168.2
[M-H]- 270.07249 165.9
[M+NH4]+ 289.11359 179.3
[M+K]+ 310.04293 163.2
[M+H-H2O]+ 254.07703 154.3
[M+HCOO]- 316.07797 173.0
[M+CH3COO]- 330.09362 192.9
[M+Na-2H]- 292.05444 160.7
[M]+ 271.07922 164.3
[M]- 271.08032 164.3
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.