CID 12575960

1,5-diiodo-2,4-dimethylbenzene

Structural Information

Molecular Formula
C8H8I2
SMILES
CC1=CC(=C(C=C1I)I)C
InChI
InChI=1S/C8H8I2/c1-5-3-6(2)8(10)4-7(5)9/h3-4H,1-2H3
InChIKey
ZOOZGIAPEXFLEF-UHFFFAOYSA-N
Compound name
1,5-diiodo-2,4-dimethylbenzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

54
Patents

357.87155 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[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
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe