CID 79402194

4-bromo-2-(1-methyl-1h-pyrazol-4-yl)-1,3-thiazole

Structural Information

Molecular Formula
C7H6BrN3S
SMILES
CN1C=C(C=N1)C2=NC(=CS2)Br
InChI
InChI=1S/C7H6BrN3S/c1-11-3-5(2-9-11)7-10-6(8)4-12-7/h2-4H,1H3
InChIKey
GTTHVKFCBZEMRI-UHFFFAOYSA-N
Compound name
4-bromo-2-(1-methylpyrazol-4-yl)-1,3-thiazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

242.94658 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 243.953856 132.9
[M+Na]+ 265.935798 150.1
[M-H]- 241.939304 141.0
[M+NH4]+ 260.980403 155.5
[M+K]+ 281.909738 139.4
[M+H-H2O]+ 225.943840 133.3
[M+HCOO]- 287.944781 152.3
[M+CH3COO]- 301.960431 150.3
[M+Na-2H]- 263.921246 137.6
[M]+ 242.94603142 156.2
[M]- 242.94712858 156.2
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.