CID 16217058

2-fluoro-5-iodobenzaldehyde

Structural Information

Molecular Formula

SMILES

C1=CC(=C(C=C1I)C=O)F

InChI

InChI=1S/C7H4FIO/c8-7-2-1-6(9)3-5(7)4-10/h1-4H

InChIKey

BIRCCQCPGMMGPJ-UHFFFAOYSA-N

Compound name

2-fluoro-5-iodobenzaldehyde

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 234
Patents: 249.9291 Da
Monoisotopic Mass: 2.1
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]+	250.93638	130.2
[M+Na]+	272.91832	133.2
[M-H]-	248.92182	126.3
[M+NH4]+	267.96292	147.1
[M+K]+	288.89226	137.0
[M+H-H2O]+	232.92636	120.9
[M+HCOO]-	294.92730	149.5
[M+CH3COO]-	308.94295	183.2
[M+Na-2H]-	270.90377	125.2
[M]+	249.92855	127.4
[M]-	249.92965	127.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe