CID 12766600

2,6-dibromohexanoyl chloride

Structural Information

Molecular Formula

C₆H₉Br₂ClO

SMILES

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

InChI

InChI=1S/C6H9Br2ClO/c7-4-2-1-3-5(8)6(9)10/h5H,1-4H2

InChIKey

NOZKWVQCQBUMPV-UHFFFAOYSA-N

Compound name

2,6-dibromohexanoyl chloride

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 11
Patents: 289.87088 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]+	290.87816	141.3
[M+Na]+	312.86010	152.5
[M-H]-	288.86360	145.4
[M+NH4]+	307.90470	161.4
[M+K]+	328.83404	135.3
[M+H-H2O]+	272.86814	150.0
[M+HCOO]-	334.86908	152.4
[M+CH3COO]-	348.88473	201.8
[M+Na-2H]-	310.84555	146.7
[M]+	289.87033	176.5
[M]-	289.87143	176.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe