CID 1893

7-nitroindazole

Structural Information

Molecular Formula

C₇H₅N₃O₂

SMILES

C1=CC2=C(C(=C1)[N+](=O)[O-])NN=C2

InChI

InChI=1S/C7H5N3O2/c11-10(12)6-3-1-2-5-4-8-9-7(5)6/h1-4H,(H,8,9)

InChIKey

PQCAUHUKTBHUSA-UHFFFAOYSA-N

Compound name

7-nitro-1H-indazole

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 1224
References: 1555
Patents: 163.03818 Da
Monoisotopic Mass: 1.8
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]+	164.04546	126.8
[M+Na]+	186.02740	140.8
[M+NH4]+	181.07200	135.1
[M+K]+	202.00134	139.4
[M-H]-	162.03090	128.9
[M+Na-2H]-	184.01285	133.7
[M]+	163.03763	129.1
[M]-	163.03873	129.1

Literature stripe

literature stripe

Patent stripe

patents stripe