CID 73783

Bromocyclooctane

Structural Information

Molecular Formula
C8H15Br
SMILES
C1CCCC(CCC1)Br
InChI
InChI=1S/C8H15Br/c9-8-6-4-2-1-3-5-7-8/h8H,1-7H2
InChIKey
KFKLBMQLKLKHLU-UHFFFAOYSA-N
Compound name
bromocyclooctane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

283
Patents

190.0357 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 191.04298 142.7
[M+Na]+ 213.02492 148.1
[M-H]- 189.02842 145.4
[M+NH4]+ 208.06952 153.1
[M+K]+ 228.99886 144.9
[M+H-H2O]+ 173.03296 142.2
[M+HCOO]- 235.03390 150.9
[M+CH3COO]- 249.04955 221.0
[M+Na-2H]- 211.01037 144.3
[M]+ 190.03515 148.3
[M]- 190.03625 148.3
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