CID 4130136

114352-31-7

Structural Information

Molecular Formula

C₁₀H₁₄Br₂O

SMILES

CC1(C2CCC1(C(=O)C2Br)CBr)C

InChI

InChI=1S/C10H14Br2O/c1-9(2)6-3-4-10(9,5-11)8(13)7(6)12/h6-7H,3-5H2,1-2H3

InChIKey

XNGJUGUTYMLWIM-UHFFFAOYSA-N

Compound name

3-bromo-1-(bromomethyl)-7,7-dimethylbicyclo[2.2.1]heptan-2-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 0
Patents: 307.94113 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]+	308.94841	153.2
[M+Na]+	330.93035	166.1
[M-H]-	306.93385	160.2
[M+NH4]+	325.97495	179.6
[M+K]+	346.90429	151.0
[M+H-H2O]+	290.93839	164.1
[M+HCOO]-	352.93933	167.6
[M+CH3COO]-	366.95498	205.2
[M+Na-2H]-	328.91580	158.4
[M]+	307.94058	187.6
[M]-	307.94168	187.6

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.