CID 3631184

1,2-dibromo-4,5-dichloro-3,6-dimethyl-benzene

Structural Information

Molecular Formula
C8H6Br2Cl2
SMILES
CC1=C(C(=C(C(=C1Br)Br)C)Cl)Cl
InChI
InChI=1S/C8H6Br2Cl2/c1-3-5(9)6(10)4(2)8(12)7(3)11/h1-2H3
InChIKey
ITLCAMDULGODQR-UHFFFAOYSA-N
Compound name
1,2-dibromo-4,5-dichloro-3,6-dimethylbenzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

329.82132 Da
Monoisotopic Mass

5.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 330.82860 141.2
[M+Na]+ 352.81054 156.7
[M-H]- 328.81404 148.5
[M+NH4]+ 347.85514 161.6
[M+K]+ 368.78448 138.2
[M+H-H2O]+ 312.81858 151.0
[M+HCOO]- 374.81952 150.4
[M+CH3COO]- 388.83517 208.4
[M+Na-2H]- 350.79599 146.9
[M]+ 329.82077 177.6
[M]- 329.82187 177.6
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.