CID 79239

1-(2-nitrophenoxy)acetone

Structural Information

Molecular Formula
C9H9NO4
SMILES
CC(=O)COC1=CC=CC=C1[N+](=O)[O-]
InChI
InChI=1S/C9H9NO4/c1-7(11)6-14-9-5-3-2-4-8(9)10(12)13/h2-5H,6H2,1H3
InChIKey
PYVMIAYOZLGBQM-UHFFFAOYSA-N
Compound name
1-(2-nitrophenoxy)propan-2-one
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

46
Patents

195.05316 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 196.06044 138.1
[M+Na]+ 218.04238 150.8
[M+NH4]+ 213.08698 145.6
[M+K]+ 234.01632 148.2
[M-H]- 194.04588 140.5
[M+Na-2H]- 216.02783 144.0
[M]+ 195.05261 140.3
[M]- 195.05371 140.3
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