CID 1475983

N-(4-fluorophenyl)-3-oxobutanamide

Structural Information

Molecular Formula
C10H10FNO2
SMILES
CC(=O)CC(=O)NC1=CC=C(C=C1)F
InChI
InChI=1S/C10H10FNO2/c1-7(13)6-10(14)12-9-4-2-8(11)3-5-9/h2-5H,6H2,1H3,(H,12,14)
InChIKey
PCGMZJHAOYYUHF-UHFFFAOYSA-N
Compound name
N-(4-fluorophenyl)-3-oxobutanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

29
Patents

195.06955 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 196.076826 139.5
[M+Na]+ 218.058768 146.7
[M-H]- 194.062274 142.0
[M+NH4]+ 213.103373 158.6
[M+K]+ 234.032708 144.9
[M+H-H2O]+ 178.066810 132.6
[M+HCOO]- 240.067751 162.6
[M+CH3COO]- 254.083401 186.3
[M+Na-2H]- 216.044216 143.7
[M]+ 195.06900142 138.4
[M]- 195.07009858 138.4
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