CID 18728

1,2-dibromo-4-(1,2-dibromoethyl)cyclohexane

Structural Information

Molecular Formula
C8H12Br4
SMILES
C1CC(C(CC1C(CBr)Br)Br)Br
InChI
InChI=1S/C8H12Br4/c9-4-8(12)5-1-2-6(10)7(11)3-5/h5-8H,1-4H2
InChIKey
PQRRSJBLKOPVJV-UHFFFAOYSA-N
Compound name
1,2-dibromo-4-(1,2-dibromoethyl)cyclohexane
Related CIDs

2D Structure

compound 2d structure
7
Annotation Hits

46
References

985
Patents

423.76724 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 424.774516 154.0
[M+Na]+ 446.756458 159.5
[M-H]- 422.759964 157.9
[M+NH4]+ 441.801063 164.6
[M+K]+ 462.730398 146.3
[M+H-H2O]+ 406.764500 172.3
[M+HCOO]- 468.765441 158.3
[M+CH3COO]- 482.781091 235.1
[M+Na-2H]- 444.741906 155.6
[M]+ 423.76669142 190.9
[M]- 423.76778858 190.9
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