CID 154814403

9-bromo-1-chlorononan-2-one

Structural Information

Molecular Formula

C₉H₁₆BrClO

SMILES

C(CCCC(=O)CCl)CCCBr

InChI

InChI=1S/C9H16BrClO/c10-7-5-3-1-2-4-6-9(12)8-11/h1-8H2

InChIKey

QDRVWDGFVQUXFG-UHFFFAOYSA-N

Compound name

9-bromo-1-chlorononan-2-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 254.00731 Da
Monoisotopic Mass: 3.4
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]+	255.01459	150.0
[M+Na]+	276.99653	160.7
[M-H]-	253.00003	152.5
[M+NH4]+	272.04113	171.7
[M+K]+	292.97047	147.8
[M+H-H2O]+	237.00457	151.2
[M+HCOO]-	299.00551	165.5
[M+CH3COO]-	313.02116	192.0
[M+Na-2H]-	274.98198	155.1
[M]+	254.00676	172.4
[M]-	254.00786	172.4

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.