CID 15167896

1-bromo-2,3-bis(bromomethyl)benzene

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

182
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

No literature data available for this compound.

Patent stripe

patents stripe