CID 24723812

756489-25-5

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]+ 178.066266 135.4
[M+Na]+ 200.048208 145.5
[M-H]- 176.051714 137.6
[M+NH4]+ 195.092813 153.6
[M+K]+ 216.022148 142.1
[M+H-H2O]+ 160.056250 122.5
[M+HCOO]- 222.057191 154.6
[M+CH3COO]- 236.072841 193.6
[M+Na-2H]- 198.033656 140.3
[M]+ 177.05844142 130.0
[M]- 177.05953858 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.