CID 11123771

1,4-dibromo-2,5-diiodobenzene

Structural Information

Molecular Formula
C6H2Br2I2
SMILES
C1=C(C(=CC(=C1I)Br)I)Br
InChI
InChI=1S/C6H2Br2I2/c7-3-1-5(9)4(8)2-6(3)10/h1-2H
InChIKey
IVKPEQAIHJWGGT-UHFFFAOYSA-N
Compound name
1,4-dibromo-2,5-diiodobenzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

375
Patents

485.66125 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 486.66853 142.3
[M+Na]+ 508.65047 142.4
[M-H]- 484.65397 139.5
[M+NH4]+ 503.69507 153.2
[M+K]+ 524.62441 138.8
[M+H-H2O]+ 468.65851 143.7
[M+HCOO]- 530.65945 150.5
[M+CH3COO]- 544.67510 217.1
[M+Na-2H]- 506.63592 135.6
[M]+ 485.66070 165.2
[M]- 485.66180 165.2
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