CID 86804

2-ethylhexyl bromide

Structural Information

Molecular Formula
C8H17Br
SMILES
CCCCC(CC)CBr
InChI
InChI=1S/C8H17Br/c1-3-5-6-8(4-2)7-9/h8H,3-7H2,1-2H3
InChIKey
NZWIYPLSXWYKLH-UHFFFAOYSA-N
Compound name
3-(bromomethyl)heptane
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

1
References

3746
Patents

192.05136 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 193.05864 138.0
[M+Na]+ 215.04058 139.7
[M+NH4]+ 210.08518 143.2
[M+K]+ 231.01452 139.1
[M-H]- 191.04408 137.1
[M+Na-2H]- 213.02603 139.4
[M]+ 192.05081 136.8
[M]- 192.05191 136.8
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