CID 121027

1136-83-0

Structural Information

Molecular Formula

C₁₂H₁₀INO

SMILES

C1=CC=C2C(=C1)C=CC=C2NC(=O)CI

InChI

InChI=1S/C12H10INO/c13-8-12(15)14-11-7-3-5-9-4-1-2-6-10(9)11/h1-7H,8H2,(H,14,15)

InChIKey

PRUQEPVXQGHSMD-UHFFFAOYSA-N

Compound name

2-iodo-N-naphthalen-1-ylacetamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 3
Patents: 310.9807 Da
Monoisotopic Mass: 2.3
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]+	311.98798	151.7
[M+Na]+	333.96992	151.9
[M-H]-	309.97342	148.8
[M+NH4]+	329.01452	166.4
[M+K]+	349.94386	154.4
[M+H-H2O]+	293.97796	141.5
[M+HCOO]-	355.97890	170.1
[M+CH3COO]-	369.99455	196.1
[M+Na-2H]-	331.95537	147.3
[M]+	310.98015	148.5
[M]-	310.98125	148.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe