CID 19981636

Cyclohexane, tetrabromodichloro-

Structural Information

Molecular Formula
C6H6Br4Cl2
SMILES
C1(C(C(C(C(C1Br)Br)Br)Br)Cl)Cl
InChI
InChI=1S/C6H6Br4Cl2/c7-1-2(8)4(10)6(12)5(11)3(1)9/h1-6H
InChIKey
GABFTOZBVQIDBB-UHFFFAOYSA-N
Compound name
1,2,3,4-tetrabromo-5,6-dichlorocyclohexane
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

19
Patents

463.65802 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 464.66530 158.6
[M+Na]+ 486.64724 166.5
[M-H]- 462.65074 162.7
[M+NH4]+ 481.69184 169.4
[M+K]+ 502.62118 151.5
[M+H-H2O]+ 446.65528 176.8
[M+HCOO]- 508.65622 159.8
[M+CH3COO]- 522.67187 236.7
[M+Na-2H]- 484.63269 159.5
[M]+ 463.65747 195.6
[M]- 463.65857 195.6
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

patents stripe