CID 13185127

3-bromo-1-methyl-4-nitro-1h-pyrazole

Structural Information

Molecular Formula
C4H4BrN3O2
SMILES
CN1C=C(C(=N1)Br)[N+](=O)[O-]
InChI
InChI=1S/C4H4BrN3O2/c1-7-2-3(8(9)10)4(5)6-7/h2H,1H3
InChIKey
BHFRSRAZJCLLDY-UHFFFAOYSA-N
Compound name
3-bromo-1-methyl-4-nitropyrazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

57
Patents

204.94868 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 205.95596 132.1
[M+Na]+ 227.93790 145.4
[M-H]- 203.94140 137.0
[M+NH4]+ 222.98250 153.5
[M+K]+ 243.91184 132.0
[M+H-H2O]+ 187.94594 135.7
[M+HCOO]- 249.94688 155.2
[M+CH3COO]- 263.96253 176.3
[M+Na-2H]- 225.92335 141.5
[M]+ 204.94813 150.5
[M]- 204.94923 150.5
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