CID 58241682

1,3-difluoro-2-iodo-4-nitrobenzene

Structural Information

Molecular Formula

C₆H₂F₂INO₂

SMILES

C1=CC(=C(C(=C1[N+](=O)[O-])F)I)F

InChI

InChI=1S/C6H2F2INO2/c7-3-1-2-4(10(11)12)5(8)6(3)9/h1-2H

InChIKey

ZYLPUHQHTBTCBM-UHFFFAOYSA-N

Compound name

1,3-difluoro-2-iodo-4-nitrobenzene

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 68
Patents: 284.90982 Da
Monoisotopic Mass: 2.6
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]+	285.91710	139.8
[M+Na]+	307.89904	142.8
[M-H]-	283.90254	135.0
[M+NH4]+	302.94364	154.7
[M+K]+	323.87298	142.7
[M+H-H2O]+	267.90708	133.8
[M+HCOO]-	329.90802	158.9
[M+CH3COO]-	343.92367	184.2
[M+Na-2H]-	305.88449	134.4
[M]+	284.90927	134.2
[M]-	284.91037	134.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe