CID 12248288

1-(bromomethyl)-1h-pyrazole hydrobromide

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

105
Patents

159.96361 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 160.970886 122.3
[M+Na]+ 182.952828 135.3
[M-H]- 158.956334 126.4
[M+NH4]+ 177.997433 145.9
[M+K]+ 198.926768 125.9
[M+H-H2O]+ 142.960870 122.1
[M+HCOO]- 204.961811 144.4
[M+CH3COO]- 218.977461 173.2
[M+Na-2H]- 180.938276 131.9
[M]+ 159.96306142 140.8
[M]- 159.96415858 140.8
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

patents stripe