CID 383644

Nsc672062

Structural Information

Molecular Formula
C12H21F3NO6P
SMILES
CCC(=O)NC(C(=O)OCC)(C(F)(F)F)P(=O)(OCC)OCC
InChI
InChI=1S/C12H21F3NO6P/c1-5-9(17)16-11(12(13,14)15,10(18)20-6-2)23(19,21-7-3)22-8-4/h5-8H2,1-4H3,(H,16,17)
InChIKey
WIJWEPSAFHKVBY-UHFFFAOYSA-N
Compound name
ethyl 2-diethoxyphosphoryl-3,3,3-trifluoro-2-(propanoylamino)propanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

363.10587 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 364.11315 176.0
[M+Na]+ 386.09509 184.5
[M-H]- 362.09859 180.1
[M+NH4]+ 381.13969 184.6
[M+K]+ 402.06903 178.9
[M+H-H2O]+ 346.10313 170.4
[M+HCOO]- 408.10407 192.7
[M+CH3COO]- 422.11972 215.4
[M+Na-2H]- 384.08054 181.5
[M]+ 363.10532 174.8
[M]- 363.10642 174.8
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.