CID 11994

1,2-diiodobenzene

Structural Information

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

2D Structure

compound 2d structure
3
Annotation Hits

9
References

6787
Patents

329.84024 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 330.84752 132.8
[M+Na]+ 352.82946 127.0
[M-H]- 328.83296 124.6
[M+NH4]+ 347.87406 143.9
[M+K]+ 368.80340 137.1
[M+H-H2O]+ 312.83750 121.9
[M+HCOO]- 374.83844 145.8
[M+CH3COO]- 388.85409 194.7
[M+Na-2H]- 350.81491 122.8
[M]+ 329.83969 127.6
[M]- 329.84079 127.6
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