CID 75907

8-bromo-1-octene

Structural Information

Molecular Formula
C8H15Br
SMILES
C=CCCCCCCBr
InChI
InChI=1S/C8H15Br/c1-2-3-4-5-6-7-8-9/h2H,1,3-8H2
InChIKey
SNMOMUYLFLGQQS-UHFFFAOYSA-N
Compound name
8-bromooct-1-ene
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

1
References

1066
Patents

190.0357 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 191.042976 137.1
[M+Na]+ 213.024918 147.5
[M-H]- 189.028424 139.9
[M+NH4]+ 208.069523 160.5
[M+K]+ 228.998858 136.5
[M+H-H2O]+ 173.032960 137.9
[M+HCOO]- 235.033901 158.0
[M+CH3COO]- 249.049551 183.2
[M+Na-2H]- 211.010366 144.3
[M]+ 190.03515142 156.8
[M]- 190.03624858 156.8
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