CID 16376

4-nitro-1h-pyrazole

Structural Information

Molecular Formula

C₃H₃N₃O₂

SMILES

C1=C(C=NN1)[N+](=O)[O-]

InChI

InChI=1S/C3H3N3O2/c7-6(8)3-1-4-5-2-3/h1-2H,(H,4,5)

InChIKey

XORHNJQEWQGXCN-UHFFFAOYSA-N

Compound name

4-nitro-1H-pyrazole

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 4
References: 4275
Patents: 113.02253 Da
Monoisotopic Mass: 0.6
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]+	114.02981	116.1
[M+Na]+	136.01175	127.7
[M+NH4]+	131.05635	123.6
[M+K]+	151.98569	127.7
[M-H]-	112.01525	116.8
[M+Na-2H]-	133.99720	121.8
[M]+	113.02198	117.5
[M]-	113.02308	117.5

Literature stripe

literature stripe

Patent stripe

patents stripe