CID 21963115

6-chloro-3-iodo-1h-indazole

Structural Information

Molecular Formula

C₇H₄ClIN₂

SMILES

C1=CC2=C(NN=C2C=C1Cl)I

InChI

InChI=1S/C7H4ClIN2/c8-4-1-2-5-6(3-4)10-11-7(5)9/h1-3H,(H,10,11)

InChIKey

FKKMHPZZZRHKOE-UHFFFAOYSA-N

Compound name

6-chloro-3-iodo-2H-indazole

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 68
Patents: 277.91077 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]+	278.91805	130.2
[M+Na]+	300.89999	135.7
[M-H]-	276.90349	124.6
[M+NH4]+	295.94459	146.5
[M+K]+	316.87393	136.2
[M+H-H2O]+	260.90803	121.0
[M+HCOO]-	322.90897	143.9
[M+CH3COO]-	336.92462	140.5
[M+Na-2H]-	298.88544	126.9
[M]+	277.91022	129.7
[M]-	277.91132	129.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe