CID 22352381

3,5-diiodo-1h-indazole

Structural Information

Molecular Formula

C₇H₄I₂N₂

SMILES

C1=CC2=NNC(=C2C=C1I)I

InChI

InChI=1S/C7H4I2N2/c8-4-1-2-6-5(3-4)7(9)11-10-6/h1-3H,(H,10,11)

InChIKey

YAWVPJHNPTVUBN-UHFFFAOYSA-N

Compound name

3,5-diiodo-2H-indazole

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 20
Patents: 369.8464 Da
Monoisotopic Mass: 2.9
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]+	370.85368	132.4
[M+Na]+	392.83562	128.9
[M-H]-	368.83912	122.2
[M+NH4]+	387.88022	142.3
[M+K]+	408.80956	137.1
[M+H-H2O]+	352.84366	120.7
[M+HCOO]-	414.84460	143.9
[M+CH3COO]-	428.86025	137.7
[M+Na-2H]-	390.82107	123.3
[M]+	369.84585	128.1
[M]-	369.84695	128.1

Literature stripe

literature stripe

Patent stripe

patents stripe