CID 124252175

Mfcd29037518

Structural Information

Molecular Formula

SMILES

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

InChI

InChI=1S/C7H3ClFIO/c8-5-2-6(9)4(3-11)1-7(5)10/h1-3H

InChIKey

LSVPGSPKXDPDRH-UHFFFAOYSA-N

Compound name

4-chloro-2-fluoro-5-iodobenzaldehyde

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 283.8901 Da
Monoisotopic Mass: 2.8
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]+	284.89738	132.8
[M+Na]+	306.87932	137.5
[M-H]-	282.88282	129.1
[M+NH4]+	301.92392	149.6
[M+K]+	322.85326	139.3
[M+H-H2O]+	266.88736	124.5
[M+HCOO]-	328.88830	147.8
[M+CH3COO]-	342.90395	187.9
[M+Na-2H]-	304.86477	127.0
[M]+	283.88955	132.3
[M]-	283.89065	132.3

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.