CID 78310

1,8-dibromooctane

Structural Information

Molecular Formula
C8H16Br2
SMILES
C(CCCCBr)CCCBr
InChI
InChI=1S/C8H16Br2/c9-7-5-3-1-2-4-6-8-10/h1-8H2
InChIKey
DKEGCUDAFWNSSO-UHFFFAOYSA-N
Compound name
1,8-dibromooctane
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

7
References

45246
Patents

269.96188 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 270.96916 149.8
[M+Na]+ 292.95110 144.0
[M+NH4]+ 287.99570 151.8
[M+K]+ 308.92504 149.2
[M-H]- 268.95460 149.6
[M+Na-2H]- 290.93655 149.9
[M]+ 269.96133 147.7
[M]- 269.96243 147.7
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