CID 382502

Nsc670112

Structural Information

Molecular Formula
C12H20F6NO4P
SMILES
CCC(C)(NC(=O)C(C(F)(F)F)C(F)(F)F)P(=O)(OCC)OCC
InChI
InChI=1S/C12H20F6NO4P/c1-5-10(4,24(21,22-6-2)23-7-3)19-9(20)8(11(13,14)15)12(16,17)18/h8H,5-7H2,1-4H3,(H,19,20)
InChIKey
AXLQQLMINZHZAL-UHFFFAOYSA-N
Compound name
N-(2-diethoxyphosphorylbutan-2-yl)-3,3,3-trifluoro-2-(trifluoromethyl)propanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

387.10342 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 388.11070 174.2
[M+Na]+ 410.09264 182.6
[M-H]- 386.09614 178.6
[M+NH4]+ 405.13724 182.6
[M+K]+ 426.06658 180.2
[M+H-H2O]+ 370.10068 173.7
[M+HCOO]- 432.10162 190.5
[M+CH3COO]- 446.11727 221.0
[M+Na-2H]- 408.07809 185.6
[M]+ 387.10287 171.5
[M]- 387.10397 171.5
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.