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]+ 273.908736 140.0
[M+Na]+ 295.890678 155.9
[M-H]- 271.894184 149.5
[M+NH4]+ 290.935283 162.8
[M+K]+ 311.864618 142.5
[M+H-H2O]+ 255.898720 141.4
[M+HCOO]- 317.899661 154.3
[M+CH3COO]- 331.915311 156.6
[M+Na-2H]- 293.876126 145.1
[M]+ 272.90091142 162.4
[M]- 272.90200858 162.4
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.