CID 13425526

Thiazolium, 4,5-dihydro-2-(3-chlorophenyl)-3-methyl-, iodide

Structural Information

Molecular Formula
C10H11ClNS
SMILES
C[N+]1=C(SCC1)C2=CC(=CC=C2)Cl
InChI
InChI=1S/C10H11ClNS/c1-12-5-6-13-10(12)8-3-2-4-9(11)7-8/h2-4,7H,5-6H2,1H3/q+1
InChIKey
ZWLLVNZEPANUJY-UHFFFAOYSA-N
Compound name
2-(3-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 142.8
[M+Na]+ 235.01930 152.9
[M-H]- 211.02280 149.1
[M+NH4]+ 230.06390 163.5
[M+K]+ 250.99324 142.8
[M+H-H2O]+ 195.02734 139.8
[M+HCOO]- 257.02828 156.5
[M+CH3COO]- 271.04393 176.5
[M+Na-2H]- 233.00475 146.3
[M]+ 212.02953 143.9
[M]- 212.03063 143.9
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.