CID 462040

Schembl19411789

Structural Information

Molecular Formula
CH4ClFO6P2
SMILES
C(F)(P(=O)(O)O)(P(=O)(O)O)Cl
InChI
InChI=1S/CH4ClFO6P2/c2-1(3,10(4,5)6)11(7,8)9/h(H2,4,5,6)(H2,7,8,9)
InChIKey
PFMKUSJLTVEYCW-UHFFFAOYSA-N
Compound name
(chloro-fluoro-phosphonomethyl)phosphonic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

227.91557 Da
Monoisotopic Mass

-2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 228.92285 140.4
[M+Na]+ 250.90479 149.1
[M-H]- 226.90829 133.1
[M+NH4]+ 245.94939 157.6
[M+K]+ 266.87873 146.7
[M+H-H2O]+ 210.91283 133.9
[M+HCOO]- 272.91377 161.6
[M+CH3COO]- 286.92942 174.8
[M+Na-2H]- 248.89024 145.3
[M]+ 227.91502 141.4
[M]- 227.91612 141.4
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.