CID 218564

40806-03-9

Structural Information

Molecular Formula

C₄H₇Br₄O₄P

SMILES

COP(=O)(OC)OC(C(Br)(Br)Br)Br

InChI

InChI=1S/C4H7Br4O4P/c1-10-13(9,11-2)12-3(5)4(6,7)8/h3H,1-2H3

InChIKey

NNJOGRJSKIPHRS-UHFFFAOYSA-N

Compound name

dimethyl 1,2,2,2-tetrabromoethyl phosphate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 6
Patents: 465.68155 Da
Monoisotopic Mass: 2.8
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]+	466.68883	176.2
[M+Na]+	488.67077	182.6
[M-H]-	464.67427	178.7
[M+NH4]+	483.71537	186.0
[M+K]+	504.64471	168.6
[M+H-H2O]+	448.67881	192.2
[M+HCOO]-	510.67975	181.8
[M+CH3COO]-	524.69540	236.2
[M+Na-2H]-	486.65622	176.3
[M]+	465.68100	215.1
[M]-	465.68210	215.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe