CID 67706

353-18-4

Structural Information

Molecular Formula
C5H8FNO
SMILES
C(COCCF)C#N
InChI
InChI=1S/C5H8FNO/c6-2-5-8-4-1-3-7/h1-2,4-5H2
InChIKey
NTBYEBVGKXKYSB-UHFFFAOYSA-N
Compound name
3-(2-fluoroethoxy)propanenitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

117.05899 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 118.06627 115.8
[M+Na]+ 140.04821 125.2
[M-H]- 116.05171 115.6
[M+NH4]+ 135.09281 136.4
[M+K]+ 156.02215 125.2
[M+H-H2O]+ 100.05625 104.2
[M+HCOO]- 162.05719 136.0
[M+CH3COO]- 176.07284 183.6
[M+Na-2H]- 138.03366 123.3
[M]+ 117.05844 112.2
[M]- 117.05954 112.2
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

patents stripe