CID 58283719

4,5-dichloro-3-phenyl-1,2-thiazole

Structural Information

Molecular Formula
C9H5Cl2NS
SMILES
C1=CC=C(C=C1)C2=NSC(=C2Cl)Cl
InChI
InChI=1S/C9H5Cl2NS/c10-7-8(12-13-9(7)11)6-4-2-1-3-5-6/h1-5H
InChIKey
ZJKHEBUQSRIKHN-UHFFFAOYSA-N
Compound name
4,5-dichloro-3-phenyl-1,2-thiazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

10
Patents

228.95198 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 229.959256 143.2
[M+Na]+ 251.941198 155.4
[M-H]- 227.944704 149.2
[M+NH4]+ 246.985803 164.0
[M+K]+ 267.915138 149.3
[M+H-H2O]+ 211.949240 138.2
[M+HCOO]- 273.950181 153.9
[M+CH3COO]- 287.965831 157.1
[M+Na-2H]- 249.926646 145.2
[M]+ 228.95143142 147.7
[M]- 228.95252858 147.7
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

patents stripe