CID 91662791

4-bromo-2-fluoro-5-iodobenzaldehyde

Structural Information

Molecular Formula

SMILES

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

InChI

InChI=1S/C7H3BrFIO/c8-5-2-6(9)4(3-11)1-7(5)10/h1-3H

InChIKey

ALBGAYZRQUXZGN-UHFFFAOYSA-N

Compound name

4-bromo-2-fluoro-5-iodobenzaldehyde

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 327.8396 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]+	328.84688	141.2
[M+Na]+	350.82882	148.2
[M-H]-	326.83232	140.4
[M+NH4]+	345.87342	158.9
[M+K]+	366.80276	143.0
[M+H-H2O]+	310.83686	137.6
[M+HCOO]-	372.83780	158.2
[M+CH3COO]-	386.85345	193.8
[M+Na-2H]-	348.81427	137.0
[M]+	327.83905	156.3
[M]-	327.84015	156.3

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.