CID 75355950

4-chloro-2-fluoro-5-iodo-benzoic acid

Structural Information

Molecular Formula

C₇H₃ClFIO₂

SMILES

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

InChI

InChI=1S/C7H3ClFIO2/c8-4-2-5(9)3(7(11)12)1-6(4)10/h1-2H,(H,11,12)

InChIKey

ADPSZAFEYOAEJJ-UHFFFAOYSA-N

Compound name

4-chloro-2-fluoro-5-iodobenzoic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 10
Patents: 299.88504 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]+	300.89232	138.1
[M+Na]+	322.87426	142.0
[M-H]-	298.87776	133.2
[M+NH4]+	317.91886	153.4
[M+K]+	338.84820	143.9
[M+H-H2O]+	282.88230	129.9
[M+HCOO]-	344.88324	150.9
[M+CH3COO]-	358.89889	188.1
[M+Na-2H]-	320.85971	130.5
[M]+	299.88449	136.5
[M]-	299.88559	136.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe