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]+ 122.04120 113.8
[M+Na]+ 144.02314 123.2
[M-H]- 120.02664 112.4
[M+NH4]+ 139.06774 134.0
[M+K]+ 159.99708 123.5
[M+H-H2O]+ 104.03118 101.5
[M+HCOO]- 166.03212 132.4
[M+CH3COO]- 180.04777 184.1
[M+Na-2H]- 142.00859 120.0
[M]+ 121.03337 108.0
[M]- 121.03447 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.