CID 17771

3,4,5,6-tetrabromo-o-xylene

Structural Information

Molecular Formula
C8H6Br4
SMILES
CC1=C(C(=C(C(=C1Br)Br)Br)Br)C
InChI
InChI=1S/C8H6Br4/c1-3-4(2)6(10)8(12)7(11)5(3)9/h1-2H3
InChIKey
WVJRAJZMOVQFEC-UHFFFAOYSA-N
Compound name
1,2,3,4-tetrabromo-5,6-dimethylbenzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

753
Patents

417.7203 Da
Monoisotopic Mass

5.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 418.72758 145.5
[M+Na]+ 440.70952 152.7
[M-H]- 416.71302 150.0
[M+NH4]+ 435.75412 156.5
[M+K]+ 456.68346 139.5
[M+H-H2O]+ 400.71756 163.6
[M+HCOO]- 462.71850 151.6
[M+CH3COO]- 476.73415 235.6
[M+Na-2H]- 438.69497 148.3
[M]+ 417.71975 184.2
[M]- 417.72085 184.2
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.