CID 5151205

4235-46-5

Structural Information

Molecular Formula
C8H5Br5
SMILES
C1=CC(=C(C=C1Br)C(Br)Br)C(Br)Br
InChI
InChI=1S/C8H5Br5/c9-4-1-2-5(7(10)11)6(3-4)8(12)13/h1-3,7-8H
InChIKey
MSKRZYXIEGFYFD-UHFFFAOYSA-N
Compound name
4-bromo-1,2-bis(dibromomethyl)benzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

79
Patents

495.6308 Da
Monoisotopic Mass

5.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 496.63808 164.5
[M+Na]+ 518.62002 162.3
[M+NH4]+ 513.66462 165.2
[M+K]+ 534.59396 165.5
[M-H]- 494.62352 165.8
[M+Na-2H]- 516.60547 165.5
[M]+ 495.63025 165.0
[M]- 495.63135 165.0
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