CID 350454

2,6-dibromohexanoic acid

Structural Information

Molecular Formula

C₆H₁₀Br₂O₂

SMILES

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

InChI

InChI=1S/C6H10Br2O2/c7-4-2-1-3-5(8)6(9)10/h5H,1-4H2,(H,9,10)

InChIKey

DQULMCCESHRDMR-UHFFFAOYSA-N

Compound name

2,6-dibromohexanoic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 24
Patents: 271.90475 Da
Monoisotopic Mass: 2.4
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]+	272.912026	140.0
[M+Na]+	294.893968	149.4
[M-H]-	270.897474	142.7
[M+NH4]+	289.938573	159.1
[M+K]+	310.867908	133.8
[M+H-H2O]+	254.902010	147.6
[M+HCOO]-	316.902951	153.6
[M+CH3COO]-	330.918601	198.4
[M+Na-2H]-	292.879416	145.0
[M]+	271.90420142	173.4
[M]-	271.90529858	173.4

Literature stripe

literature stripe

Patent stripe

patents stripe