CID 2806066

3-(4-fluorophenyl)-3-oxopropanamide

Structural Information

Molecular Formula
C9H8FNO2
SMILES
C1=CC(=CC=C1C(=O)CC(=O)N)F
InChI
InChI=1S/C9H8FNO2/c10-7-3-1-6(2-4-7)8(12)5-9(11)13/h1-4H,5H2,(H2,11,13)
InChIKey
OCMBRGOMXXXXHT-UHFFFAOYSA-N
Compound name
3-(4-fluorophenyl)-3-oxopropanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

22
Patents

181.05391 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 182.061186 135.3
[M+Na]+ 204.043128 142.8
[M-H]- 180.046634 137.4
[M+NH4]+ 199.087733 154.5
[M+K]+ 220.017068 140.8
[M+H-H2O]+ 164.051170 128.5
[M+HCOO]- 226.052111 158.0
[M+CH3COO]- 240.067761 183.3
[M+Na-2H]- 202.028576 138.9
[M]+ 181.05336142 132.8
[M]- 181.05445858 132.8
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