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

3920
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

literature stripe

Patent stripe

patents stripe