CID 94675118

3-chloro-4-iodobenzamide

Structural Information

Molecular Formula

SMILES

C1=CC(=C(C=C1C(=O)N)Cl)I

InChI

InChI=1S/C7H5ClINO/c8-5-3-4(7(10)11)1-2-6(5)9/h1-3H,(H2,10,11)

InChIKey

XKCNEYGVLIFIRH-UHFFFAOYSA-N

Compound name

3-chloro-4-iodobenzamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 280.91043 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]+	281.91771	142.1
[M+Na]+	303.89965	144.7
[M-H]-	279.90315	138.8
[M+NH4]+	298.94425	158.0
[M+K]+	319.87359	146.8
[M+H-H2O]+	263.90769	134.0
[M+HCOO]-	325.90863	157.3
[M+CH3COO]-	339.92428	188.9
[M+Na-2H]-	301.88510	134.8
[M]+	280.90988	139.8
[M]-	280.91098	139.8

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.