CID 274405

17346-16-6

Structural Information

Molecular Formula

C₇H₁₂Br₂O

SMILES

CC(C)(C(=O)C(C)(C)Br)Br

InChI

InChI=1S/C7H12Br2O/c1-6(2,8)5(10)7(3,4)9/h1-4H3

InChIKey

SWSOAIMZWLDPST-UHFFFAOYSA-N

Compound name

2,4-dibromo-2,4-dimethylpentan-3-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 66
Patents: 269.92548 Da
Monoisotopic Mass: 2.7
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]+	270.93276	144.2
[M+Na]+	292.91470	154.9
[M-H]-	268.91820	148.6
[M+NH4]+	287.95930	164.3
[M+K]+	308.88864	139.7
[M+H-H2O]+	252.92274	152.8
[M+HCOO]-	314.92368	157.0
[M+CH3COO]-	328.93933	201.2
[M+Na-2H]-	290.90015	151.0
[M]+	269.92493	178.1
[M]-	269.92603	178.1

Literature stripe

literature stripe

Patent stripe

patents stripe