CID 5326038

1,4-dibromo-2-(bromomethyl)benzene

Structural Information

Molecular Formula
C7H5Br3
SMILES
C1=CC(=C(C=C1Br)CBr)Br
InChI
InChI=1S/C7H5Br3/c8-4-5-3-6(9)1-2-7(5)10/h1-3H,4H2
InChIKey
FEQXBEBZQRNEKM-UHFFFAOYSA-N
Compound name
1,4-dibromo-2-(bromomethyl)benzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

92
Patents

325.79413 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 326.801406 133.8
[M+Na]+ 348.783348 142.5
[M-H]- 324.786854 139.6
[M+NH4]+ 343.827953 149.7
[M+K]+ 364.757288 127.4
[M+H-H2O]+ 308.791390 149.2
[M+HCOO]- 370.792331 144.8
[M+CH3COO]- 384.807981 217.2
[M+Na-2H]- 346.768796 140.3
[M]+ 325.79358142 174.6
[M]- 325.79467858 174.6
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