CID 19361948

4-fluoro-2-iodo-1-nitrobenzene

Structural Information

Molecular Formula

C₆H₃FINO₂

SMILES

C1=CC(=C(C=C1F)I)[N+](=O)[O-]

InChI

InChI=1S/C6H3FINO2/c7-4-1-2-6(9(10)11)5(8)3-4/h1-3H

InChIKey

QKROTSNREAHREK-UHFFFAOYSA-N

Compound name

4-fluoro-2-iodo-1-nitrobenzene

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 36
Patents: 266.91925 Da
Monoisotopic Mass: 2.5
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]+	267.926526	139.4
[M+Na]+	289.908468	141.4
[M-H]-	265.911974	135.5
[M+NH4]+	284.953073	154.7
[M+K]+	305.882408	141.8
[M+H-H2O]+	249.916510	134.0
[M+HCOO]-	311.917451	159.4
[M+CH3COO]-	325.933101	180.5
[M+Na-2H]-	287.893916	134.9
[M]+	266.91870142	134.4
[M]-	266.91979858	134.4

Literature stripe

literature stripe

Patent stripe

patents stripe