CID 511395

Schembl9182214

Structural Information

Molecular Formula
CH4BrFO6P2
SMILES
C(F)(P(=O)(O)O)(P(=O)(O)O)Br
InChI
InChI=1S/CH4BrFO6P2/c2-1(3,10(4,5)6)11(7,8)9/h(H2,4,5,6)(H2,7,8,9)
InChIKey
KWXZKVNTHINYND-UHFFFAOYSA-N
Compound name
(bromo-fluoro-phosphonomethyl)phosphonic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

271.86505 Da
Monoisotopic Mass

-2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 272.87233 166.8
[M+Na]+ 294.85427 177.3
[M-H]- 270.85777 161.7
[M+NH4]+ 289.89887 184.3
[M+K]+ 310.82821 166.5
[M+H-H2O]+ 254.86231 163.0
[M+HCOO]- 316.86325 188.3
[M+CH3COO]- 330.87890 181.6
[M+Na-2H]- 292.83972 170.5
[M]+ 271.86450 183.0
[M]- 271.86560 183.0
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.