CID 23118858

6-nitro-1h-indazole-3-carbaldehyde

Structural Information

Molecular Formula

C₈H₅N₃O₃

SMILES

C1=CC2=C(NN=C2C=C1[N+](=O)[O-])C=O

InChI

InChI=1S/C8H5N3O3/c12-4-8-6-2-1-5(11(13)14)3-7(6)9-10-8/h1-4H,(H,9,10)

InChIKey

UYPSMSUYMARCRX-UHFFFAOYSA-N

Compound name

6-nitro-2H-indazole-3-carbaldehyde

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 112
Patents: 191.0331 Da
Monoisotopic Mass: 1.2
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]+	192.040376	134.0
[M+Na]+	214.022318	144.2
[M-H]-	190.025824	135.9
[M+NH4]+	209.066923	152.4
[M+K]+	229.996258	136.8
[M+H-H2O]+	174.030360	131.9
[M+HCOO]-	236.031301	158.4
[M+CH3COO]-	250.046951	172.8
[M+Na-2H]-	212.007766	144.2
[M]+	191.03255142	133.8
[M]-	191.03364858	133.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe