CID 82006298

2-(2,2-difluoroethoxy)acetonitrile

Structural Information

Molecular Formula
C4H5F2NO
SMILES
C(C#N)OCC(F)F
InChI
InChI=1S/C4H5F2NO/c5-4(6)3-8-2-1-7/h4H,2-3H2
InChIKey
STZRUWAAFRDPLF-UHFFFAOYSA-N
Compound name
2-(2,2-difluoroethoxy)acetonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

121.03392 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 122.041196 113.8
[M+Na]+ 144.023138 123.2
[M-H]- 120.026644 112.4
[M+NH4]+ 139.067743 134.0
[M+K]+ 159.997078 123.5
[M+H-H2O]+ 104.031180 101.5
[M+HCOO]- 166.032121 132.4
[M+CH3COO]- 180.047771 184.1
[M+Na-2H]- 142.008586 120.0
[M]+ 121.03337142 108.0
[M]- 121.03446858 108.0
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.