CID 102858

2623-83-8

Structural Information

Molecular Formula

C₉H₁₇BrO₂

SMILES

CCCCCCCC(C(=O)O)Br

InChI

InChI=1S/C9H17BrO2/c1-2-3-4-5-6-7-8(10)9(11)12/h8H,2-7H2,1H3,(H,11,12)

InChIKey

MELJYLJLJXTLGX-UHFFFAOYSA-N

Compound name

2-bromononanoic acid

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 27
Patents: 236.04118 Da
Monoisotopic Mass: 4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	237.04846	149.9
[M+Na]+	259.03040	158.7
[M-H]-	235.03390	151.0
[M+NH4]+	254.07500	170.5
[M+K]+	275.00434	148.0
[M+H-H2O]+	219.03844	150.0
[M+HCOO]-	281.03938	167.4
[M+CH3COO]-	295.05503	188.4
[M+Na-2H]-	257.01585	153.3
[M]+	236.04063	169.4
[M]-	236.04173	169.4

Literature stripe

literature stripe

Patent stripe

patents stripe