CID 53440971

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

Structural Information

Molecular Formula
C9H4BrCl2NS
SMILES
C1=CC(=C(C(=C1)Cl)Cl)C2=CSC(=N2)Br
InChI
InChI=1S/C9H4BrCl2NS/c10-9-13-7(4-14-9)5-2-1-3-6(11)8(5)12/h1-4H
InChIKey
JXQVGWWLLQWJHM-UHFFFAOYSA-N
Compound name
2-bromo-4-(2,3-dichlorophenyl)-1,3-thiazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

306.8625 Da
Monoisotopic Mass

4.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 307.86978 145.0
[M+Na]+ 329.85172 161.9
[M-H]- 305.85522 154.1
[M+NH4]+ 324.89632 167.0
[M+K]+ 345.82566 147.4
[M+H-H2O]+ 289.85976 146.9
[M+HCOO]- 351.86070 154.3
[M+CH3COO]- 365.87635 161.1
[M+Na-2H]- 327.83717 148.8
[M]+ 306.86195 168.2
[M]- 306.86305 168.2
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.