CID 90142169

1609326-76-2

Structural Information

Molecular Formula
C6H6F6NO3P
SMILES
C(C#N)P(=O)(OCC(F)(F)F)OCC(F)(F)F
InChI
InChI=1S/C6H6F6NO3P/c7-5(8,9)3-15-17(14,2-1-13)16-4-6(10,11)12/h2-4H2
InChIKey
SUFATQZKORLMTI-UHFFFAOYSA-N
Compound name
2-[bis(2,2,2-trifluoroethoxy)phosphoryl]acetonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

284.99896 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 286.00624 170.1
[M+Na]+ 307.98818 173.7
[M+NH4]+ 303.03278 168.5
[M+K]+ 323.96212 168.0
[M-H]- 283.99168 155.5
[M+Na-2H]- 305.97363 166.4
[M]+ 284.99841 165.5
[M]- 284.99951 165.5
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.