CID 19787006

1,2-dibromo-4-iodobenzene

Structural Information

Molecular Formula
C6H3Br2I
SMILES
C1=CC(=C(C=C1I)Br)Br
InChI
InChI=1S/C6H3Br2I/c7-5-2-1-4(9)3-6(5)8/h1-3H
InChIKey
XVOPLIDJHUQNRE-UHFFFAOYSA-N
Compound name
1,2-dibromo-4-iodobenzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

52
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

No literature data available for this compound.

Patent stripe

patents stripe