CID 65347931

1487824-34-9

Structural Information

Molecular Formula
C9H8BrN3O
SMILES
CC1=NN(C(=O)C1)C2=NC=C(C=C2)Br
InChI
InChI=1S/C9H8BrN3O/c1-6-4-9(14)13(12-6)8-3-2-7(10)5-11-8/h2-3,5H,4H2,1H3
InChIKey
NSJVMAXCXXYWOY-UHFFFAOYSA-N
Compound name
2-(5-bromopyridin-2-yl)-5-methyl-4H-pyrazol-3-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

252.98508 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 253.99236 151.1
[M+Na]+ 275.97430 155.3
[M+NH4]+ 271.01890 155.0
[M+K]+ 291.94824 156.6
[M-H]- 251.97780 151.4
[M+Na-2H]- 273.95975 154.7
[M]+ 252.98453 150.5
[M]- 252.98563 150.5
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.