CID 24723812

4-(4-fluorophenyl)-4-oxobutanenitrile

Structural Information

Molecular Formula
C10H8FNO
SMILES
C1=CC(=CC=C1C(=O)CCC#N)F
InChI
InChI=1S/C10H8FNO/c11-9-5-3-8(4-6-9)10(13)2-1-7-12/h3-6H,1-2H2
InChIKey
QHHXFEHPLSKVCH-UHFFFAOYSA-N
Compound name
4-(4-fluorophenyl)-4-oxobutanenitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

177.05899 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 178.06627 135.4
[M+Na]+ 200.04821 145.5
[M-H]- 176.05171 137.6
[M+NH4]+ 195.09281 153.6
[M+K]+ 216.02215 142.1
[M+H-H2O]+ 160.05625 122.5
[M+HCOO]- 222.05719 154.6
[M+CH3COO]- 236.07284 193.6
[M+Na-2H]- 198.03366 140.3
[M]+ 177.05844 130.0
[M]- 177.05954 130.0
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

No patent data available for this compound.