CID 511388

Acetic acid, dibromophosphono-

Structural Information

Molecular Formula
C2H3Br2O5P
SMILES
C(=O)(C(P(=O)(O)O)(Br)Br)O
InChI
InChI=1S/C2H3Br2O5P/c3-2(4,1(5)6)10(7,8)9/h(H,5,6)(H2,7,8,9)
InChIKey
HRKLXSNAMTUPSY-UHFFFAOYSA-N
Compound name
2,2-dibromo-2-phosphonoacetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

295.8085 Da
Monoisotopic Mass

-0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 296.81578 156.3
[M+Na]+ 318.79772 166.2
[M-H]- 294.80122 156.3
[M+NH4]+ 313.84232 173.4
[M+K]+ 334.77166 150.2
[M+H-H2O]+ 278.80576 162.2
[M+HCOO]- 340.80670 170.5
[M+CH3COO]- 354.82235 194.6
[M+Na-2H]- 316.78317 160.2
[M]+ 295.80795 188.5
[M]- 295.80905 188.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.