CID 3013886

2-(4-fluorophenyl)-3-oxobutanenitrile

Structural Information

Molecular Formula
C10H8FNO
SMILES
CC(=O)C(C#N)C1=CC=C(C=C1)F
InChI
InChI=1S/C10H8FNO/c1-7(13)10(6-12)8-2-4-9(11)5-3-8/h2-5,10H,1H3
InChIKey
BASLPLDKFVWJLO-UHFFFAOYSA-N
Compound name
2-(4-fluorophenyl)-3-oxobutanenitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

50
Patents

177.05899 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 178.06627 139.0
[M+Na]+ 200.04821 150.5
[M+NH4]+ 195.09281 143.3
[M+K]+ 216.02215 141.4
[M-H]- 176.05171 132.0
[M+Na-2H]- 198.03366 142.3
[M]+ 177.05844 137.7
[M]- 177.05954 137.7
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