CID 24728426

4,6-difluoro-3-iodo-1h-indazole

Structural Information

Molecular Formula

C₇H₃F₂IN₂

SMILES

C1=C(C=C(C2=C(NN=C21)I)F)F

InChI

InChI=1S/C7H3F2IN2/c8-3-1-4(9)6-5(2-3)11-12-7(6)10/h1-2H,(H,11,12)

InChIKey

ZPAKVKWQWSWWDY-UHFFFAOYSA-N

Compound name

4,6-difluoro-3-iodo-2H-indazole

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 13
Patents: 279.9309 Da
Monoisotopic Mass: 2.4
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]+	280.93818	128.3
[M+Na]+	302.92012	134.1
[M-H]-	278.92362	120.8
[M+NH4]+	297.96472	144.0
[M+K]+	318.89406	135.4
[M+H-H2O]+	262.92816	117.3
[M+HCOO]-	324.92910	144.5
[M+CH3COO]-	338.94475	138.4
[M+Na-2H]-	300.90557	123.9
[M]+	279.93035	124.5
[M]-	279.93145	124.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe