CID 13425516

4,5-dihydro-2-(4-chlorophenyl)-3-methylthiazolium iodide

Structural Information

Molecular Formula
C10H11ClNS
SMILES
C[N+]1=C(SCC1)C2=CC=C(C=C2)Cl
InChI
InChI=1S/C10H11ClNS/c1-12-6-7-13-10(12)8-2-4-9(11)5-3-8/h2-5H,6-7H2,1H3/q+1
InChIKey
YHUWTLUGYAOOLO-UHFFFAOYSA-N
Compound name
2-(4-chlorophenyl)-3-methyl-4,5-dihydro-1,3-thiazol-3-ium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

212.03008 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 213.03736 139.7
[M+Na]+ 235.01930 156.4
[M+NH4]+ 230.06390 151.6
[M+K]+ 250.99324 148.4
[M-H]- 211.02280 146.0
[M+Na-2H]- 233.00475 149.0
[M]+ 212.02953 145.2
[M]- 212.03063 145.2
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.