CID 792561

N-(3-fluorophenyl)-3-oxobutanamide

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

8
Patents

195.06955 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 196.07683 139.5
[M+Na]+ 218.05877 146.7
[M-H]- 194.06227 142.0
[M+NH4]+ 213.10337 158.6
[M+K]+ 234.03271 144.9
[M+H-H2O]+ 178.06681 132.6
[M+HCOO]- 240.06775 162.6
[M+CH3COO]- 254.08340 186.3
[M+Na-2H]- 216.04422 143.7
[M]+ 195.06900 138.4
[M]- 195.07010 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