CID 206353

Thiazole, 4,5-dihydro-2-(3-chlorophenyl)-

Structural Information

Molecular Formula
C9H8ClNS
SMILES
C1CSC(=N1)C2=CC(=CC=C2)Cl
InChI
InChI=1S/C9H8ClNS/c10-8-3-1-2-7(6-8)9-11-4-5-12-9/h1-3,6H,4-5H2
InChIKey
JWVWYBJFTZUEMP-UHFFFAOYSA-N
Compound name
2-(3-chlorophenyl)-4,5-dihydro-1,3-thiazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

197.00659 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 198.01387 138.3
[M+Na]+ 219.99581 148.5
[M-H]- 195.99931 144.3
[M+NH4]+ 215.04041 159.8
[M+K]+ 235.96975 143.8
[M+H-H2O]+ 180.00385 132.6
[M+HCOO]- 242.00479 152.8
[M+CH3COO]- 256.02044 152.2
[M+Na-2H]- 217.98126 140.8
[M]+ 197.00604 140.2
[M]- 197.00714 140.2
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.