CID 83741

4-bromo-3-methylpyrazole

Structural Information

Molecular Formula
C4H5BrN2
SMILES
CC1=C(C=NN1)Br
InChI
InChI=1S/C4H5BrN2/c1-3-4(5)2-6-7-3/h2H,1H3,(H,6,7)
InChIKey
IXQPRETWBGVNPJ-UHFFFAOYSA-N
Compound name
4-bromo-5-methyl-1H-pyrazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

844
Patents

159.96361 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 160.97089 129.4
[M+Na]+ 182.95283 132.1
[M+NH4]+ 177.99743 134.1
[M+K]+ 198.92677 133.9
[M-H]- 158.95633 128.3
[M+Na-2H]- 180.93828 132.1
[M]+ 159.96306 128.1
[M]- 159.96416 128.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

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