CID 44306087

6-fmevpp

Structural Information

Molecular Formula
C6H13FO10P2
SMILES
C(COP(=O)(O)OP(=O)(O)O)[C@@](CC(=O)O)(CF)O
InChI
InChI=1S/C6H13FO10P2/c7-4-6(10,3-5(8)9)1-2-16-19(14,15)17-18(11,12)13/h10H,1-4H2,(H,8,9)(H,14,15)(H2,11,12,13)/t6-/m1/s1
InChIKey
YIGLDWRZXXHIGZ-ZCFIWIBFSA-N
Compound name
(3R)-3-(fluoromethyl)-3-hydroxy-5-[hydroxy(phosphonooxy)phosphoryl]oxypentanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

325.9968 Da
Monoisotopic Mass

-3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 327.00408 160.4
[M+Na]+ 348.98602 160.3
[M-H]- 324.98952 162.1
[M+NH4]+ 344.03062 160.1
[M+K]+ 364.95996 151.4
[M+H-H2O]+ 308.99406 140.2
[M+HCOO]- 370.99500 175.5
[M+CH3COO]- 385.01065 192.9
[M+Na-2H]- 346.97147 147.7
[M]+ 325.99625 156.5
[M]- 325.99735 156.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.