CID 462038

Methanedibromodiphosphonate

Structural Information

Molecular Formula

CH₄Br₂O₆P₂

SMILES

C(P(=O)(O)O)(P(=O)(O)O)(Br)Br

InChI

InChI=1S/CH4Br2O6P2/c2-1(3,10(4,5)6)11(7,8)9/h(H2,4,5,6)(H2,7,8,9)

InChIKey

DQVOQQVHRYLBHX-UHFFFAOYSA-N

Compound name

[dibromo(phosphono)methyl]phosphonic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 2
References: 98
Patents: 331.785 Da
Monoisotopic Mass: -1.7
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]+	332.79228	180.2
[M+Na]+	354.77422	189.7
[M-H]-	330.77772	178.2
[M+NH4]+	349.81882	195.7
[M+K]+	370.74816	173.2
[M+H-H2O]+	314.78226	183.8
[M+HCOO]-	376.78320	196.1
[M+CH3COO]-	390.79885	197.6
[M+Na-2H]-	352.75967	182.6
[M]+	331.78445	211.7
[M]-	331.78555	211.7

Literature stripe

literature stripe

Patent stripe

patents stripe