CID 125530

Imcdf

Structural Information

Molecular Formula

C₁₃H₇Cl₂IO

SMILES

CC1=CC(=CC2=C1OC3=C2C(=CC(=C3)Cl)Cl)I

InChI

InChI=1S/C13H7Cl2IO/c1-6-2-8(16)5-9-12-10(15)3-7(14)4-11(12)17-13(6)9/h2-5H,1H3

InChIKey

OBPNDBUBANGTHF-UHFFFAOYSA-N

Compound name

1,3-dichloro-8-iodo-6-methyldibenzofuran

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 1
References: 0
Patents: 375.89188 Da
Monoisotopic Mass: 5.9
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]+	376.89916	154.3
[M+Na]+	398.88110	162.1
[M-H]-	374.88460	153.9
[M+NH4]+	393.92570	170.9
[M+K]+	414.85504	161.9
[M+H-H2O]+	358.88914	147.0
[M+HCOO]-	420.89008	164.2
[M+CH3COO]-	434.90573	164.9
[M+Na-2H]-	396.86655	149.4
[M]+	375.89133	159.7
[M]-	375.89243	159.7

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.