CID 141538

1,2-dibromocyclooctane

Structural Information

Molecular Formula
C8H14Br2
SMILES
C1CCCC(C(CC1)Br)Br
InChI
InChI=1S/C8H14Br2/c9-7-5-3-1-2-4-6-8(7)10/h7-8H,1-6H2
InChIKey
BOESCCYXMLOHNO-UHFFFAOYSA-N
Compound name
1,2-dibromocyclooctane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

84
Patents

267.94623 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 268.953506 142.3
[M+Na]+ 290.935448 147.6
[M-H]- 266.938954 145.3
[M+NH4]+ 285.980053 151.4
[M+K]+ 306.909388 142.0
[M+H-H2O]+ 250.943490 145.3
[M+HCOO]- 312.944431 148.4
[M+CH3COO]- 326.960081 229.5
[M+Na-2H]- 288.920896 143.6
[M]+ 267.94568142 155.0
[M]- 267.94677858 155.0
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