CID 9848

407-83-0

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
2
Annotation Hits

0
References

22
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 109.6
[M+Na]+ 110.037638 119.4
[M-H]- 86.041144 109.6
[M+NH4]+ 105.082243 131.2
[M+K]+ 126.011578 119.1
[M+H-H2O]+ 70.045680 98.4
[M+HCOO]- 132.046621 129.8
[M+CH3COO]- 146.062271 179.2
[M+Na-2H]- 108.023086 117.5
[M]+ 87.04787142 104.3
[M]- 87.04896858 104.3
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