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 157.5
[M+Na]+ 283.07937 163.2
[M-H]- 259.08287 154.6
[M+NH4]+ 278.12397 173.7
[M+K]+ 299.05331 163.2
[M+H-H2O]+ 243.08741 146.9
[M+HCOO]- 305.08835 176.7
[M+CH3COO]- 319.10400 196.6
[M+Na-2H]- 281.06482 159.0
[M]+ 260.08960 152.5
[M]- 260.09070 152.5
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.