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]+ 243.95386 132.9
[M+Na]+ 265.93580 150.1
[M-H]- 241.93930 141.0
[M+NH4]+ 260.98040 155.5
[M+K]+ 281.90974 139.4
[M+H-H2O]+ 225.94384 133.3
[M+HCOO]- 287.94478 152.3
[M+CH3COO]- 301.96043 150.3
[M+Na-2H]- 263.92125 137.6
[M]+ 242.94603 156.2
[M]- 242.94713 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.