CID 12186451

Alpha,alpha,alpha',alpha',4,5-hexabromo-o-xylene

Structural Information

Molecular Formula
C8H4Br6
SMILES
C1=C(C(=CC(=C1Br)Br)C(Br)Br)C(Br)Br
InChI
InChI=1S/C8H4Br6/c9-5-1-3(7(11)12)4(8(13)14)2-6(5)10/h1-2,7-8H
InChIKey
QPLVNMIEWOGDBY-UHFFFAOYSA-N
Compound name
1,2-dibromo-4,5-bis(dibromomethyl)benzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

20
Patents

573.5413 Da
Monoisotopic Mass

6.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 574.54858 181.1
[M+Na]+ 596.53052 190.7
[M-H]- 572.53402 184.9
[M+NH4]+ 591.57512 187.0
[M+K]+ 612.50446 179.9
[M+H-H2O]+ 556.53856 195.1
[M+HCOO]- 618.53950 183.6
[M+CH3COO]- 632.55515 250.6
[M+Na-2H]- 594.51597 179.2
[M]+ 573.54075 201.9
[M]- 573.54185 201.9
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

patents stripe