CID 12512302

1-bromospiro[2.3]hexane

Structural Information

Molecular Formula

SMILES

C1CC2(C1)CC2Br

InChI

InChI=1S/C6H9Br/c7-5-4-6(5)2-1-3-6/h5H,1-4H2

InChIKey

FQXDBBSVWKSTJZ-UHFFFAOYSA-N

Compound name

2-bromospiro[2.3]hexane

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 159.98875 Da
Monoisotopic Mass: 2.3
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]+	160.99603	118.7
[M+Na]+	182.97797	131.3
[M-H]-	158.98147	128.3
[M+NH4]+	178.02257	135.1
[M+K]+	198.95191	124.7
[M+H-H2O]+	142.98601	116.4
[M+HCOO]-	204.98695	139.0
[M+CH3COO]-	219.00260	181.8
[M+Na-2H]-	180.96342	129.2
[M]+	159.98820	144.5
[M]-	159.98930	144.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe