CID 74440

Urea, 1-(fluoroacetyl)-3-phenyl-

Structural Information

Molecular Formula
C9H9FN2O2
SMILES
C1=CC=C(C=C1)NC(=O)NC(=O)CF
InChI
InChI=1S/C9H9FN2O2/c10-6-8(13)12-9(14)11-7-4-2-1-3-5-7/h1-5H,6H2,(H2,11,12,13,14)
InChIKey
WKZDHMCNRYQPHR-UHFFFAOYSA-N
Compound name
2-fluoro-N-(phenylcarbamoyl)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

196.0648 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 197.072076 139.8
[M+Na]+ 219.054018 145.6
[M-H]- 195.057524 142.0
[M+NH4]+ 214.098623 158.2
[M+K]+ 235.027958 144.0
[M+H-H2O]+ 179.062060 132.2
[M+HCOO]- 241.063001 164.2
[M+CH3COO]- 255.078651 185.8
[M+Na-2H]- 217.039466 145.4
[M]+ 196.06425142 136.9
[M]- 196.06534858 136.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe