CID 120798

773-56-8

Structural Information

Molecular Formula
C10H12ClNS
SMILES
CC1(NCCS1)C2=CC=C(C=C2)Cl
InChI
InChI=1S/C10H12ClNS/c1-10(12-6-7-13-10)8-2-4-9(11)5-3-8/h2-5,12H,6-7H2,1H3
InChIKey
DXTTVNWUGJGNJB-UHFFFAOYSA-N
Compound name
2-(4-chlorophenyl)-2-methyl-1,3-thiazolidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

213.0379 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 214.04518 143.5
[M+Na]+ 236.02712 152.5
[M-H]- 212.03062 147.8
[M+NH4]+ 231.07172 165.5
[M+K]+ 252.00106 147.1
[M+H-H2O]+ 196.03516 138.6
[M+HCOO]- 258.03610 154.8
[M+CH3COO]- 272.05175 156.2
[M+Na-2H]- 234.01257 145.5
[M]+ 213.03735 142.8
[M]- 213.03845 142.8
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.