CID 18918

Acetanilide, 2-fluoro-3'-nitro-

Structural Information

Molecular Formula
C8H7FN2O3
SMILES
C1=CC(=CC(=C1)[N+](=O)[O-])NC(=O)CF
InChI
InChI=1S/C8H7FN2O3/c9-5-8(12)10-6-2-1-3-7(4-6)11(13)14/h1-4H,5H2,(H,10,12)
InChIKey
KGDCFDBLIJACEI-UHFFFAOYSA-N
Compound name
2-fluoro-N-(3-nitrophenyl)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

10
Patents

198.04407 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 199.051346 136.2
[M+Na]+ 221.033288 142.9
[M-H]- 197.036794 138.8
[M+NH4]+ 216.077893 154.2
[M+K]+ 237.007228 137.4
[M+H-H2O]+ 181.041330 133.8
[M+HCOO]- 243.042271 161.7
[M+CH3COO]- 257.057921 179.2
[M+Na-2H]- 219.018736 143.6
[M]+ 198.04352142 133.1
[M]- 198.04461858 133.1
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