CID 15906032

22236-11-9

Structural Information

Molecular Formula
C9H9F2NO2
SMILES
CC(=O)NC1=CC=C(C=C1)OC(F)F
InChI
InChI=1S/C9H9F2NO2/c1-6(13)12-7-2-4-8(5-3-7)14-9(10)11/h2-5,9H,1H3,(H,12,13)
InChIKey
YZAFOMJODXAJQD-UHFFFAOYSA-N
Compound name
N-[4-(difluoromethoxy)phenyl]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

41
Patents

201.06013 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 202.067406 138.9
[M+Na]+ 224.049348 146.2
[M-H]- 200.052854 140.1
[M+NH4]+ 219.093953 157.7
[M+K]+ 240.023288 144.8
[M+H-H2O]+ 184.057390 131.0
[M+HCOO]- 246.058331 161.1
[M+CH3COO]- 260.073981 187.0
[M+Na-2H]- 222.034796 143.0
[M]+ 201.05958142 136.9
[M]- 201.06067858 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

patents stripe