CID 12496465

4-bromo-1,2-bis(bromomethyl)benzene

Structural Information

Molecular Formula
C8H7Br3
SMILES
C1=CC(=C(C=C1Br)CBr)CBr
InChI
InChI=1S/C8H7Br3/c9-4-6-1-2-8(11)3-7(6)5-10/h1-3H,4-5H2
InChIKey
PJYGXPFKKAJUBG-UHFFFAOYSA-N
Compound name
4-bromo-1,2-bis(bromomethyl)benzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

260
Patents

339.80978 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 340.81706 151.5
[M+Na]+ 362.79900 144.8
[M+NH4]+ 357.84360 152.9
[M+K]+ 378.77294 152.8
[M-H]- 338.80250 153.4
[M+Na-2H]- 360.78445 153.2
[M]+ 339.80923 150.9
[M]- 339.81033 150.9
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

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