CID 632149

1,2-diiodo-4,5-dimethyl-benzene

Structural Information

Molecular Formula

C₈H₈I₂

SMILES

CC1=CC(=C(C=C1C)I)I

InChI

InChI=1S/C8H8I2/c1-5-3-7(9)8(10)4-6(5)2/h3-4H,1-2H3

InChIKey

LXOHTTLTWLSPNR-UHFFFAOYSA-N

Compound name

1,2-diiodo-4,5-dimethylbenzene

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 21
Patents: 357.87155 Da
Monoisotopic Mass: 4.0
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]+	358.87883	137.2
[M+Na]+	380.86077	132.3
[M-H]-	356.86427	129.5
[M+NH4]+	375.90537	148.1
[M+K]+	396.83471	142.1
[M+H-H2O]+	340.86881	126.5
[M+HCOO]-	402.86975	149.8
[M+CH3COO]-	416.88540	201.2
[M+Na-2H]-	378.84622	125.5
[M]+	357.87100	133.3
[M]-	357.87210	133.3

Literature stripe

literature stripe

Patent stripe

patents stripe