CID 21187203

3-fluoro-4-iodoanisole

Structural Information

Molecular Formula

SMILES

COC1=CC(=C(C=C1)I)F

InChI

InChI=1S/C7H6FIO/c1-10-5-2-3-7(9)6(8)4-5/h2-4H,1H3

InChIKey

CGSWCMRVWKVUSA-UHFFFAOYSA-N

Compound name

2-fluoro-1-iodo-4-methoxybenzene

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 63
Patents: 251.94473 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]+	252.95201	135.5
[M+Na]+	274.93395	141.1
[M+NH4]+	269.97855	140.0
[M+K]+	290.90789	137.7
[M-H]-	250.93745	130.7
[M+Na-2H]-	272.91940	130.1
[M]+	251.94418	133.9
[M]-	251.94528	133.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe