CID 13707994

3,5-dibromo-4-nitro-1h-pyrazole

Structural Information

Molecular Formula

C₃HBr₂N₃O₂

SMILES

C1(=C(NN=C1Br)Br)[N+](=O)[O-]

InChI

InChI=1S/C3HBr2N3O2/c4-2-1(8(9)10)3(5)7-6-2/h(H,6,7)

InChIKey

HUEFSFAVCVCTAX-UHFFFAOYSA-N

Compound name

3,5-dibromo-4-nitro-1H-pyrazole

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 126
Patents: 268.84354 Da
Monoisotopic Mass: 2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	269.85082	157.9
[M+Na]+	291.83276	152.1
[M+NH4]+	286.87736	158.9
[M+K]+	307.80670	161.1
[M-H]-	267.83626	157.6
[M+Na-2H]-	289.81821	157.1
[M]+	268.84299	155.7
[M]-	268.84409	155.7

Literature stripe

literature stripe

Patent stripe

patents stripe