CID 9848

4-fluorobutanenitrile

Structural Information

Molecular Formula
C4H6FN
SMILES
C(CC#N)CF
InChI
InChI=1S/C4H6FN/c5-3-1-2-4-6/h1-3H2
InChIKey
FJJJJRAPZCRYGA-UHFFFAOYSA-N
Compound name
4-fluorobutanenitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

7
Patents

87.04842 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 88.055696 116.2
[M+Na]+ 110.03764 126.8
[M+NH4]+ 105.08224 121.2
[M+K]+ 126.01158 117.6
[M-H]- 86.041144 108.1
[M+Na-2H]- 108.02309 118.7
[M]+ 87.047871 114.4
[M]- 87.048969 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

literature stripe

Patent stripe

patents stripe