CID 4403794

1,3-dibromo-2-iodo-benzene

Structural Information

Molecular Formula
C6H3Br2I
SMILES
C1=CC(=C(C(=C1)Br)I)Br
InChI
InChI=1S/C6H3Br2I/c7-4-2-1-3-5(8)6(4)9/h1-3H
InChIKey
OIFRMZVTJQAPIF-UHFFFAOYSA-N
Compound name
1,3-dibromo-2-iodobenzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

174
Patents

359.76462 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 360.77190 136.7
[M+Na]+ 382.75384 143.1
[M-H]- 358.75734 138.3
[M+NH4]+ 377.79844 153.5
[M+K]+ 398.72778 133.2
[M+H-H2O]+ 342.76188 142.0
[M+HCOO]- 404.76282 150.0
[M+CH3COO]- 418.77847 203.6
[M+Na-2H]- 380.73929 135.8
[M]+ 359.76407 166.4
[M]- 359.76517 166.4
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