CID 18918

2-fluoro-3'-nitroacetanilide

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]+ 199.05135 136.2
[M+Na]+ 221.03329 142.9
[M-H]- 197.03679 138.8
[M+NH4]+ 216.07789 154.2
[M+K]+ 237.00723 137.4
[M+H-H2O]+ 181.04133 133.8
[M+HCOO]- 243.04227 161.7
[M+CH3COO]- 257.05792 179.2
[M+Na-2H]- 219.01874 143.6
[M]+ 198.04352 133.1
[M]- 198.04462 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