CID 122239606

2098007-64-6

Structural Information

Molecular Formula
C5H7FN2
SMILES
C1C(CN1)(CC#N)F
InChI
InChI=1S/C5H7FN2/c6-5(1-2-7)3-8-4-5/h8H,1,3-4H2
InChIKey
RHUDJEXBBXIDCJ-UHFFFAOYSA-N
Compound name
2-(3-fluoroazetidin-3-yl)acetonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

114.059326 Da
Monoisotopic Mass

-0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 115.06660 115.0
[M+Na]+ 137.04854 123.1
[M-H]- 113.05205 115.1
[M+NH4]+ 132.09315 129.6
[M+K]+ 153.02248 125.1
[M+H-H2O]+ 97.056586 99.2
[M+HCOO]- 159.05753 130.9
[M+CH3COO]- 173.07318 182.7
[M+Na-2H]- 135.03399 122.6
[M]+ 114.05878 114.4
[M]- 114.05987 114.4
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.