CID 511390

Acetic acid, bromofluorophosphono-

Structural Information

Molecular Formula
C2H3BrFO5P
SMILES
C(=O)(C(F)(P(=O)(O)O)Br)O
InChI
InChI=1S/C2H3BrFO5P/c3-2(4,1(5)6)10(7,8)9/h(H,5,6)(H2,7,8,9)
InChIKey
UOCOESNNRXKOTN-UHFFFAOYSA-N
Compound name
2-bromo-2-fluoro-2-phosphonoacetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

235.88855 Da
Monoisotopic Mass

-0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 236.89583 147.6
[M+Na]+ 258.87777 158.6
[M-H]- 234.88127 144.9
[M+NH4]+ 253.92237 166.9
[M+K]+ 274.85171 148.1
[M+H-H2O]+ 218.88581 146.1
[M+HCOO]- 280.88675 166.6
[M+CH3COO]- 294.90240 177.8
[M+Na-2H]- 256.86322 151.9
[M]+ 235.88800 164.0
[M]- 235.88910 164.0
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.