CID 21884186

4-fluoro-n-methyl-3-nitrobenzamide

Structural Information

Molecular Formula
C8H7FN2O3
SMILES
CNC(=O)C1=CC(=C(C=C1)F)[N+](=O)[O-]
InChI
InChI=1S/C8H7FN2O3/c1-10-8(12)5-2-3-6(9)7(4-5)11(13)14/h2-4H,1H3,(H,10,12)
InChIKey
LTGYDUQSOZFFEM-UHFFFAOYSA-N
Compound name
4-fluoro-N-methyl-3-nitrobenzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

57
Patents

198.04407 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 199.05135 135.3
[M+Na]+ 221.03329 146.7
[M+NH4]+ 216.07789 142.1
[M+K]+ 237.00723 144.6
[M-H]- 197.03679 136.9
[M+Na-2H]- 219.01874 140.7
[M]+ 198.04352 136.9
[M]- 198.04462 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

literature stripe

Patent stripe

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