CID 67448763

3-bromo-2-iodobenzyl bromide

Structural Information

Molecular Formula
C7H5Br2I
SMILES
C1=CC(=C(C(=C1)Br)I)CBr
InChI
InChI=1S/C7H5Br2I/c8-4-5-2-1-3-6(9)7(5)10/h1-3H,4H2
InChIKey
FEOSCXDDTOBETE-UHFFFAOYSA-N
Compound name
1-bromo-3-(bromomethyl)-2-iodobenzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

373.78027 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 374.78755 141.0
[M+Na]+ 396.76949 147.1
[M-H]- 372.77299 142.5
[M+NH4]+ 391.81409 157.4
[M+K]+ 412.74343 137.0
[M+H-H2O]+ 356.77753 146.1
[M+HCOO]- 418.77847 154.0
[M+CH3COO]- 432.79412 205.8
[M+Na-2H]- 394.75494 139.6
[M]+ 373.77972 170.9
[M]- 373.78082 170.9
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