CID 1201443

3-bromo-1h-pyrazole

Structural Information

Molecular Formula
C3H3BrN2
SMILES
C1=C(NN=C1)Br
InChI
InChI=1S/C3H3BrN2/c4-3-1-2-5-6-3/h1-2H,(H,5,6)
InChIKey
XHZWFUVEKDDQPF-UHFFFAOYSA-N
Compound name
5-bromo-1H-pyrazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

3681
Patents

145.94797 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 146.95525 118.8
[M+Na]+ 168.93719 131.8
[M-H]- 144.94069 121.8
[M+NH4]+ 163.98179 142.3
[M+K]+ 184.91113 121.7
[M+H-H2O]+ 128.94523 119.0
[M+HCOO]- 190.94617 139.8
[M+CH3COO]- 204.96182 167.8
[M+Na-2H]- 166.92264 128.5
[M]+ 145.94742 135.2
[M]- 145.94852 135.2
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

No patent data available for this compound.