CID 2759361

3-iodobenzyl bromide

Structural Information

Molecular Formula
C7H6BrI
SMILES
C1=CC(=CC(=C1)I)CBr
InChI
InChI=1S/C7H6BrI/c8-5-6-2-1-3-7(9)4-6/h1-4H,5H2
InChIKey
BACZSVQZBSCWIG-UHFFFAOYSA-N
Compound name
1-(bromomethyl)-3-iodobenzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

4
References

1025
Patents

295.86975 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 296.87703 138.6
[M+Na]+ 318.85897 143.8
[M-H]- 294.86247 138.3
[M+NH4]+ 313.90357 157.1
[M+K]+ 334.83291 139.1
[M+H-H2O]+ 278.86701 135.7
[M+HCOO]- 340.86795 156.1
[M+CH3COO]- 354.88360 188.5
[M+Na-2H]- 316.84442 136.1
[M]+ 295.86920 153.3
[M]- 295.87030 153.3
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