CID 383645

Nsc672063

Structural Information

Molecular Formula
C17H31F3NO6P
SMILES
CCCCCOP(=O)(C(C(=O)OCC)(C(F)(F)F)NC(=O)C)OCCCCC
InChI
InChI=1S/C17H31F3NO6P/c1-5-8-10-12-26-28(24,27-13-11-9-6-2)16(17(18,19)20,21-14(4)22)15(23)25-7-3/h5-13H2,1-4H3,(H,21,22)
InChIKey
WLJQWIOWMXAGCC-UHFFFAOYSA-N
Compound name
ethyl 2-acetamido-2-dipentoxyphosphoryl-3,3,3-trifluoropropanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

433.1841 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 434.19138 195.1
[M+Na]+ 456.17332 202.6
[M-H]- 432.17682 197.3
[M+NH4]+ 451.21792 203.4
[M+K]+ 472.14726 199.0
[M+H-H2O]+ 416.18136 185.2
[M+HCOO]- 478.18230 209.7
[M+CH3COO]- 492.19795 230.0
[M+Na-2H]- 454.15877 185.4
[M]+ 433.18355 193.4
[M]- 433.18465 193.4
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.