CID 75481802

6-(bromomethyl)-3-phenyl-5h,6h-[1,2,4]triazolo[3,4-b][1,3]thiazole

Structural Information

Molecular Formula
C11H10BrN3S
SMILES
C1C(SC2=NN=C(N21)C3=CC=CC=C3)CBr
InChI
InChI=1S/C11H10BrN3S/c12-6-9-7-15-10(13-14-11(15)16-9)8-4-2-1-3-5-8/h1-5,9H,6-7H2
InChIKey
ALFGOQIZSNTHCA-UHFFFAOYSA-N
Compound name
6-(bromomethyl)-3-phenyl-5,6-dihydro-[1,3]thiazolo[2,3-c][1,2,4]triazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

294.97787 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 295.98515 150.6
[M+Na]+ 317.96709 165.4
[M-H]- 293.97059 158.4
[M+NH4]+ 313.01169 171.9
[M+K]+ 333.94103 154.2
[M+H-H2O]+ 277.97513 150.9
[M+HCOO]- 339.97607 166.2
[M+CH3COO]- 353.99172 165.8
[M+Na-2H]- 315.95254 154.0
[M]+ 294.97732 171.7
[M]- 294.97842 171.7
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.