CID 45788672

1159820-13-9

Structural Information

Molecular Formula
C8H5BrN2S
SMILES
C1=CC(=NC=C1Br)C2=CSC=N2
InChI
InChI=1S/C8H5BrN2S/c9-6-1-2-7(10-3-6)8-4-12-5-11-8/h1-5H
InChIKey
YTIBOJGRHQNSRD-UHFFFAOYSA-N
Compound name
4-(5-bromo-2-pyridinyl)-1,3-thiazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

239.93568 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 240.942956 132.3
[M+Na]+ 262.924898 147.1
[M-H]- 238.928404 140.4
[M+NH4]+ 257.969503 154.1
[M+K]+ 278.898838 135.6
[M+H-H2O]+ 222.932940 132.6
[M+HCOO]- 284.933881 150.4
[M+CH3COO]- 298.949531 148.9
[M+Na-2H]- 260.910346 139.0
[M]+ 239.93513142 153.0
[M]- 239.93622858 153.0
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.