CID 24790

10016-09-8

Structural Information

Molecular Formula
C9H9FN2O3
SMILES
CN(C1=CC=C(C=C1)[N+](=O)[O-])C(=O)CF
InChI
InChI=1S/C9H9FN2O3/c1-11(9(13)6-10)7-2-4-8(5-3-7)12(14)15/h2-5H,6H2,1H3
InChIKey
IKWVBWXAHHTTCR-UHFFFAOYSA-N
Compound name
2-fluoro-N-methyl-N-(4-nitrophenyl)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

212.05972 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 213.06700 141.1
[M+Na]+ 235.04894 147.6
[M-H]- 211.05244 144.9
[M+NH4]+ 230.09354 159.1
[M+K]+ 251.02288 143.2
[M+H-H2O]+ 195.05698 138.3
[M+HCOO]- 257.05792 166.7
[M+CH3COO]- 271.07357 185.8
[M+Na-2H]- 233.03439 147.2
[M]+ 212.05917 139.5
[M]- 212.06027 139.5
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