CID 954258

4-iodobenzyl bromide

Structural Information

Molecular Formula
C7H6BrI
SMILES
C1=CC(=CC=C1CBr)I
InChI
InChI=1S/C7H6BrI/c8-5-6-1-3-7(9)4-2-6/h1-4H,5H2
InChIKey
BQTRMYJYYNQQGK-UHFFFAOYSA-N
Compound name
1-(bromomethyl)-4-iodobenzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

1941
Patents

295.86975 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 296.877026 138.6
[M+Na]+ 318.858968 143.8
[M-H]- 294.862474 138.3
[M+NH4]+ 313.903573 157.1
[M+K]+ 334.832908 139.1
[M+H-H2O]+ 278.867010 135.7
[M+HCOO]- 340.867951 156.1
[M+CH3COO]- 354.883601 188.5
[M+Na-2H]- 316.844416 136.1
[M]+ 295.86920142 153.3
[M]- 295.87029858 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