CID 3376014

5-bromononane

Structural Information

Molecular Formula
C9H19Br
SMILES
CCCCC(CCCC)Br
InChI
InChI=1S/C9H19Br/c1-3-5-7-9(10)8-6-4-2/h9H,3-8H2,1-2H3
InChIKey
MJPUNHUWQANMRH-UHFFFAOYSA-N
Compound name
5-bromononane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

18
Patents

206.06702 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 207.074296 144.6
[M+Na]+ 229.056238 154.0
[M-H]- 205.059744 147.2
[M+NH4]+ 224.100843 167.3
[M+K]+ 245.030178 143.6
[M+H-H2O]+ 189.064280 145.1
[M+HCOO]- 251.065221 163.9
[M+CH3COO]- 265.080871 187.6
[M+Na-2H]- 227.041686 149.9
[M]+ 206.06647142 164.6
[M]- 206.06756858 164.6
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