CID 75356294

5-[(4-bromo-1h-pyrazol-1-yl)methyl]-2-chloro-1,3-thiazole

Structural Information

Molecular Formula
C7H5BrClN3S
SMILES
C1=C(SC(=N1)Cl)CN2C=C(C=N2)Br
InChI
InChI=1S/C7H5BrClN3S/c8-5-1-11-12(3-5)4-6-2-10-7(9)13-6/h1-3H,4H2
InChIKey
LPIDRJGAMAKMTA-UHFFFAOYSA-N
Compound name
5-[(4-bromopyrazol-1-yl)methyl]-2-chloro-1,3-thiazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

276.90762 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 277.914896 138.8
[M+Na]+ 299.896838 156.6
[M-H]- 275.900344 146.6
[M+NH4]+ 294.941443 160.8
[M+K]+ 315.870778 144.3
[M+H-H2O]+ 259.904880 139.2
[M+HCOO]- 321.905821 153.6
[M+CH3COO]- 335.921471 155.7
[M+Na-2H]- 297.882286 142.9
[M]+ 276.90707142 163.3
[M]- 276.90816858 163.3
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.