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 140.0
[M+Na]+ 295.89068 155.9
[M-H]- 271.89418 149.5
[M+NH4]+ 290.93528 162.8
[M+K]+ 311.86462 142.5
[M+H-H2O]+ 255.89872 141.4
[M+HCOO]- 317.89966 154.3
[M+CH3COO]- 331.91531 156.6
[M+Na-2H]- 293.87613 145.1
[M]+ 272.90091 162.4
[M]- 272.90201 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.