CID 11420392

1,2-dibromo-4,5-diiodobenzene

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

38
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

No literature data available for this compound.

Patent stripe

patents stripe