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

1
Patents

196.0648 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 197.07208 139.8
[M+Na]+ 219.05402 145.6
[M-H]- 195.05752 142.0
[M+NH4]+ 214.09862 158.2
[M+K]+ 235.02796 144.0
[M+H-H2O]+ 179.06206 132.2
[M+HCOO]- 241.06300 164.2
[M+CH3COO]- 255.07865 185.8
[M+Na-2H]- 217.03947 145.4
[M]+ 196.06425 136.9
[M]- 196.06535 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