CID 19376011

4-(bromomethyl)-1h-pyrazole hydrobromide

Structural Information

Molecular Formula
C4H5BrN2
SMILES
C1=C(C=NN1)CBr
InChI
InChI=1S/C4H5BrN2/c5-1-4-2-6-7-3-4/h2-3H,1H2,(H,6,7)
InChIKey
JHJBLQAEVUCPOQ-UHFFFAOYSA-N
Compound name
4-(bromomethyl)-1H-pyrazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

24
Patents

159.96361 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 160.970886 123.4
[M+Na]+ 182.952828 136.0
[M-H]- 158.956334 126.2
[M+NH4]+ 177.997433 146.3
[M+K]+ 198.926768 125.6
[M+H-H2O]+ 142.960870 123.4
[M+HCOO]- 204.961811 144.1
[M+CH3COO]- 218.977461 170.6
[M+Na-2H]- 180.938276 132.5
[M]+ 159.96306142 140.2
[M]- 159.96415858 140.2
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

patents stripe