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

93
Patents

325.79413 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 326.80141 133.8
[M+Na]+ 348.78335 142.5
[M-H]- 324.78685 139.6
[M+NH4]+ 343.82795 149.7
[M+K]+ 364.75729 127.4
[M+H-H2O]+ 308.79139 149.2
[M+HCOO]- 370.79233 144.8
[M+CH3COO]- 384.80798 217.2
[M+Na-2H]- 346.76880 140.3
[M]+ 325.79358 174.6
[M]- 325.79468 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