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: 2
Patents: 284.99896 Da
Monoisotopic Mass: 1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	286.00624	143.3
[M+Na]+	307.98818	152.4
[M-H]-	283.99168	136.2
[M+NH4]+	303.03278	157.7
[M+K]+	323.96212	152.7
[M+H-H2O]+	267.99622	126.4
[M+HCOO]-	329.99716	159.4
[M+CH3COO]-	344.01281	207.9
[M+Na-2H]-	305.97363	147.2
[M]+	284.99841	135.5
[M]-	284.99951	135.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe