CID 11185032

2,5-dibromopentanoyl chloride

Structural Information

Molecular Formula

C₅H₇Br₂ClO

SMILES

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

InChI

InChI=1S/C5H7Br2ClO/c6-3-1-2-4(7)5(8)9/h4H,1-3H2

InChIKey

OUADIZVZFBYKSK-UHFFFAOYSA-N

Compound name

2,5-dibromopentanoyl chloride

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 54
Patents: 275.85522 Da
Monoisotopic Mass: 3.1
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]+	276.86250	137.1
[M+Na]+	298.84444	148.6
[M-H]-	274.84794	141.3
[M+NH4]+	293.88904	157.6
[M+K]+	314.81838	131.7
[M+H-H2O]+	258.85248	146.0
[M+HCOO]-	320.85342	148.5
[M+CH3COO]-	334.86907	199.6
[M+Na-2H]-	296.82989	143.0
[M]+	275.85467	172.1
[M]-	275.85577	172.1

Literature stripe

literature stripe

Patent stripe

patents stripe