CID 3060471

2-(diethylamino)tetrahydro-6-trifluoromethyl-2h-1,3,2-oxazaphosphorine 2-oxide

Structural Information

Molecular Formula
C8H16F3N2O2P
SMILES
CCN(CC)P1(=O)NCCC(O1)C(F)(F)F
InChI
InChI=1S/C8H16F3N2O2P/c1-3-13(4-2)16(14)12-6-5-7(15-16)8(9,10)11/h7H,3-6H2,1-2H3,(H,12,14)
InChIKey
KMOGLGBPMIUMRH-UHFFFAOYSA-N
Compound name
N,N-diethyl-2-oxo-6-(trifluoromethyl)-1,3,2lambda5-oxazaphosphinan-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

260.09015 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 261.09743 159.0
[M+Na]+ 283.07937 164.1
[M+NH4]+ 278.12397 163.8
[M+K]+ 299.05331 159.6
[M-H]- 259.08287 155.2
[M+Na-2H]- 281.06482 160.3
[M]+ 260.08960 158.1
[M]- 260.09070 158.1
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.