CID 5277486

Chembl194801

Structural Information

Molecular Formula
C14H15FO7P2
SMILES
C1=CC(=CC(=C1)C2=CC=C(C=C2)F)CC(O)(P(=O)(O)O)P(=O)(O)O
InChI
InChI=1S/C14H15FO7P2/c15-13-6-4-11(5-7-13)12-3-1-2-10(8-12)9-14(16,23(17,18)19)24(20,21)22/h1-8,16H,9H2,(H2,17,18,19)(H2,20,21,22)
InChIKey
KDXGHHCIJCCJKD-UHFFFAOYSA-N
Compound name
[2-[3-(4-fluorophenyl)phenyl]-1-hydroxy-1-phosphonoethyl]phosphonic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

1
Patents

376.0277 Da
Monoisotopic Mass

-0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 377.03498 186.6
[M+Na]+ 399.01692 191.3
[M-H]- 375.02042 183.2
[M+NH4]+ 394.06152 195.2
[M+K]+ 414.99086 188.5
[M+H-H2O]+ 359.02496 174.9
[M+HCOO]- 421.02590 208.6
[M+CH3COO]- 435.04155 204.5
[M+Na-2H]- 397.00237 188.0
[M]+ 376.02715 184.4
[M]- 376.02825 184.4
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.