CID 12742

1-bromononane

Structural Information

Molecular Formula
C9H19Br
SMILES
CCCCCCCCCBr
InChI
InChI=1S/C9H19Br/c1-2-3-4-5-6-7-8-9-10/h2-9H2,1H3
InChIKey
AYMUQTNXKPEMLM-UHFFFAOYSA-N
Compound name
1-bromononane
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

11
References

2550
Patents

206.06702 Da
Monoisotopic Mass

5.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 207.074296 143.6
[M+Na]+ 229.056238 153.3
[M-H]- 205.059744 146.1
[M+NH4]+ 224.100843 166.5
[M+K]+ 245.030178 142.6
[M+H-H2O]+ 189.064280 144.1
[M+HCOO]- 251.065221 163.9
[M+CH3COO]- 265.080871 186.9
[M+Na-2H]- 227.041686 150.2
[M]+ 206.06647142 164.2
[M]- 206.06756858 164.2
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