CID 136289

4'-fluoro-2'-nitroacetanilide

Structural Information

Molecular Formula
C8H7FN2O3
SMILES
CC(=O)NC1=C(C=C(C=C1)F)[N+](=O)[O-]
InChI
InChI=1S/C8H7FN2O3/c1-5(12)10-7-3-2-6(9)4-8(7)11(13)14/h2-4H,1H3,(H,10,12)
InChIKey
UZBZEUCQENVPQB-UHFFFAOYSA-N
Compound name
N-(4-fluoro-2-nitrophenyl)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

18
Patents

198.04407 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 199.05135 135.7
[M+Na]+ 221.03329 143.4
[M-H]- 197.03679 138.7
[M+NH4]+ 216.07789 154.1
[M+K]+ 237.00723 137.9
[M+H-H2O]+ 181.04133 133.6
[M+HCOO]- 243.04227 161.2
[M+CH3COO]- 257.05792 180.3
[M+Na-2H]- 219.01874 142.6
[M]+ 198.04352 133.0
[M]- 198.04462 133.0
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

patents stripe