CID 13549438

3-(bromomethyl)-1h-pyrazole hydrobromide

Structural Information

Molecular Formula
C4H5BrN2
SMILES
C1=C(NN=C1)CBr
InChI
InChI=1S/C4H5BrN2/c5-3-4-1-2-6-7-4/h1-2H,3H2,(H,6,7)
InChIKey
HYCRIDFDPOZBTQ-UHFFFAOYSA-N
Compound name
5-(bromomethyl)-1H-pyrazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

147
Patents

159.96361 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 160.97089 129.9
[M+Na]+ 182.95283 132.3
[M+NH4]+ 177.99743 134.6
[M+K]+ 198.92677 133.9
[M-H]- 158.95633 128.8
[M+Na-2H]- 180.93828 132.8
[M]+ 159.96306 128.5
[M]- 159.96416 128.5
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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