CID 5151205

Alpha,alpha,alpha',alpha',4-pentabromo-o-xylene

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

70
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 167.7
[M+Na]+ 518.62002 174.9
[M-H]- 494.62352 171.3
[M+NH4]+ 513.66462 175.2
[M+K]+ 534.59396 163.4
[M+H-H2O]+ 478.62806 185.1
[M+HCOO]- 540.62900 170.9
[M+CH3COO]- 554.64465 245.1
[M+Na-2H]- 516.60547 167.5
[M]+ 495.63025 197.9
[M]- 495.63135 197.9
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

No patent data available for this compound.