CID 104468709

2-(3-bromo-4-chlorophenyl)-1,3-thiazole

Structural Information

Molecular Formula
C9H5BrClNS
SMILES
C1=CC(=C(C=C1C2=NC=CS2)Br)Cl
InChI
InChI=1S/C9H5BrClNS/c10-7-5-6(1-2-8(7)11)9-12-3-4-13-9/h1-5H
InChIKey
WYGJJIMGZRHNSF-UHFFFAOYSA-N
Compound name
2-(3-bromo-4-chlorophenyl)-1,3-thiazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

272.90146 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 273.90874 141.0
[M+Na]+ 295.89068 147.0
[M+NH4]+ 290.93528 147.9
[M+K]+ 311.86462 145.0
[M-H]- 271.89418 143.9
[M+Na-2H]- 293.87613 147.0
[M]+ 272.90091 142.4
[M]- 272.90201 142.4
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.