CID 3024543

Brn 4997084

Structural Information

Molecular Formula
C9H7Cl2NS
SMILES
C1CSC(=N1)C2=CC(=CC(=C2)Cl)Cl
InChI
InChI=1S/C9H7Cl2NS/c10-7-3-6(4-8(11)5-7)9-12-1-2-13-9/h3-5H,1-2H2
InChIKey
AZCUZNVOBLHLAN-UHFFFAOYSA-N
Compound name
2-(3,5-dichlorophenyl)-4,5-dihydro-1,3-thiazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

230.96762 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 231.97490 145.0
[M+Na]+ 253.95684 156.1
[M-H]- 229.96034 150.5
[M+NH4]+ 249.00144 165.6
[M+K]+ 269.93078 150.2
[M+H-H2O]+ 213.96488 139.9
[M+HCOO]- 275.96582 154.2
[M+CH3COO]- 289.98147 158.3
[M+Na-2H]- 251.94229 145.9
[M]+ 230.96707 148.0
[M]- 230.96817 148.0
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.