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]+ 277.91490 138.8
[M+Na]+ 299.89684 156.6
[M-H]- 275.90034 146.6
[M+NH4]+ 294.94144 160.8
[M+K]+ 315.87078 144.3
[M+H-H2O]+ 259.90488 139.2
[M+HCOO]- 321.90582 153.6
[M+CH3COO]- 335.92147 155.7
[M+Na-2H]- 297.88229 142.9
[M]+ 276.90707 163.3
[M]- 276.90817 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.