CID 11415

1-bromo-2-iodobenzene

Structural Information

Molecular Formula
C6H4BrI
SMILES
C1=CC=C(C(=C1)Br)I
InChI
InChI=1S/C6H4BrI/c7-5-3-1-2-4-6(5)8/h1-4H
InChIKey
OIRHKGBNGGSCGS-UHFFFAOYSA-N
Compound name
1-bromo-2-iodobenzene
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

3
References

5587
Patents

281.8541 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 282.86138 133.7
[M+Na]+ 304.84332 139.3
[M-H]- 280.84682 133.6
[M+NH4]+ 299.88792 152.7
[M+K]+ 320.81726 134.8
[M+H-H2O]+ 264.85136 131.0
[M+HCOO]- 326.85230 151.5
[M+CH3COO]- 340.86795 185.8
[M+Na-2H]- 302.82877 131.8
[M]+ 281.85355 148.1
[M]- 281.85465 148.1
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