CID 104200

52463-50-0

Structural Information

Molecular Formula

C₅H₁₀Br₂ClO₂P

SMILES

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

InChI

InChI=1S/C5H10Br2ClO2P/c1-5(2,3-6)4-10-11(7,8)9/h3-4H2,1-2H3

InChIKey

WAXPIYHHPONHIN-UHFFFAOYSA-N

Compound name

1-bromo-3-[bromo(chloro)phosphoryl]oxy-2,2-dimethylpropane

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 2
Patents: 325.84738 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]+	326.85466	165.0
[M+Na]+	348.83660	177.4
[M-H]-	324.84010	168.7
[M+NH4]+	343.88120	184.6
[M+K]+	364.81054	160.0
[M+H-H2O]+	308.84464	172.1
[M+HCOO]-	370.84558	179.0
[M+CH3COO]-	384.86123	205.6
[M+Na-2H]-	346.82205	169.7
[M]+	325.84683	202.1
[M]-	325.84793	202.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe