CID 12208

1,4-diiodobenzene

Structural Information

Molecular Formula
C6H4I2
SMILES
C1=CC(=CC=C1I)I
InChI
InChI=1S/C6H4I2/c7-5-1-2-6(8)4-3-5/h1-4H
InChIKey
LFMWZTSOMGDDJU-UHFFFAOYSA-N
Compound name
1,4-diiodobenzene
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

35
References

8438
Patents

329.84024 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 330.84752 132.8
[M+Na]+ 352.82946 130.5
[M+NH4]+ 347.87406 133.4
[M+K]+ 368.80340 131.5
[M-H]- 328.83296 123.8
[M+Na-2H]- 350.81491 119.8
[M]+ 329.83969 128.1
[M]- 329.84079 128.1
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