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

8
Patents

228.95198 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 229.95926 143.2
[M+Na]+ 251.94120 155.4
[M-H]- 227.94470 149.2
[M+NH4]+ 246.98580 164.0
[M+K]+ 267.91514 149.3
[M+H-H2O]+ 211.94924 138.2
[M+HCOO]- 273.95018 153.9
[M+CH3COO]- 287.96583 157.1
[M+Na-2H]- 249.92665 145.2
[M]+ 228.95143 147.7
[M]- 228.95253 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