CID 3016923

2-bromohexanoyl bromide

Structural Information

Molecular Formula

C₆H₁₀Br₂O

SMILES

CCCCC(C(=O)Br)Br

InChI

InChI=1S/C6H10Br2O/c1-2-3-4-5(7)6(8)9/h5H,2-4H2,1H3

InChIKey

CSFUYRGXBNPTSR-UHFFFAOYSA-N

Compound name

2-bromohexanoyl bromide

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 95
Patents: 255.90984 Da
Monoisotopic Mass: 3.5
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]+	256.917116	136.6
[M+Na]+	278.899058	146.7
[M-H]-	254.902564	140.7
[M+NH4]+	273.943663	157.0
[M+K]+	294.872998	131.7
[M+H-H2O]+	238.907100	144.6
[M+HCOO]-	300.908041	151.4
[M+CH3COO]-	314.923691	199.0
[M+Na-2H]-	276.884506	142.3
[M]+	255.90929142	170.6
[M]-	255.91038858	170.6

Literature stripe

literature stripe

Patent stripe

patents stripe