CID 98219

2-bromononane

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

91
Patents

206.06702 Da
Monoisotopic Mass

4.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 207.07430 144.6
[M+Na]+ 229.05624 154.0
[M-H]- 205.05974 147.2
[M+NH4]+ 224.10084 167.3
[M+K]+ 245.03018 143.6
[M+H-H2O]+ 189.06428 145.1
[M+HCOO]- 251.06522 163.9
[M+CH3COO]- 265.08087 187.6
[M+Na-2H]- 227.04169 149.9
[M]+ 206.06647 164.6
[M]- 206.06757 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