CID 86059160

857295-23-9

Structural Information

Molecular Formula

C₆H₃BrF₂INO

SMILES

C1=CC(=NC(=C1OC(F)F)Br)I

InChI

InChI=1S/C6H3BrF2INO/c7-5-3(12-6(8)9)1-2-4(10)11-5/h1-2,6H

InChIKey

HMCVIJRMPYIMTO-UHFFFAOYSA-N

Compound name

2-bromo-3-(difluoromethoxy)-6-iodopyridine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 41
Patents: 348.8411 Da
Monoisotopic Mass: 3.5
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]+	349.84838	144.7
[M+Na]+	371.83032	150.8
[M-H]-	347.83382	141.2
[M+NH4]+	366.87492	160.1
[M+K]+	387.80426	146.1
[M+H-H2O]+	331.83836	139.4
[M+HCOO]-	393.83930	158.9
[M+CH3COO]-	407.85495	196.3
[M+Na-2H]-	369.81577	140.0
[M]+	348.84055	158.6
[M]-	348.84165	158.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe