CID 165947514

4,5-dibromo-3-phenyl-1,2-thiazole

Structural Information

Molecular Formula
C9H5Br2NS
SMILES
C1=CC=C(C=C1)C2=NSC(=C2Br)Br
InChI
InChI=1S/C9H5Br2NS/c10-7-8(12-13-9(7)11)6-4-2-1-3-5-6/h1-5H
InChIKey
GDUVDFQHOSGVOS-UHFFFAOYSA-N
Compound name
4,5-dibromo-3-phenyl-1,2-thiazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

316.85095 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 317.85823 140.9
[M+Na]+ 339.84017 137.0
[M+NH4]+ 334.88477 143.9
[M+K]+ 355.81411 143.0
[M-H]- 315.84367 142.9
[M+Na-2H]- 337.82562 144.2
[M]+ 316.85040 140.1
[M]- 316.85150 140.1
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.