CID 54330341

N-(4-fluoro-2-methyl-6-nitrophenyl)acetamide

Structural Information

Molecular Formula
C9H9FN2O3
SMILES
CC1=CC(=CC(=C1NC(=O)C)[N+](=O)[O-])F
InChI
InChI=1S/C9H9FN2O3/c1-5-3-7(10)4-8(12(14)15)9(5)11-6(2)13/h3-4H,1-2H3,(H,11,13)
InChIKey
SXWXRACCNAGROO-UHFFFAOYSA-N
Compound name
N-(4-fluoro-2-methyl-6-nitrophenyl)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

49
Patents

212.05972 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 213.06700 140.1
[M+Na]+ 235.04894 148.3
[M-H]- 211.05244 143.2
[M+NH4]+ 230.09354 158.2
[M+K]+ 251.02288 142.5
[M+H-H2O]+ 195.05698 138.0
[M+HCOO]- 257.05792 165.2
[M+CH3COO]- 271.07357 184.6
[M+Na-2H]- 233.03439 145.7
[M]+ 212.05917 138.1
[M]- 212.06027 138.1
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