CID 60356606

Kml-001

Structural Information

Molecular Formula
C16H15ClN2O4
SMILES
CC(C1=CC=C(C=C1)Cl)NC(=O)COC2=CC=C(C=C2)[N+](=O)[O-]
InChI
InChI=1S/C16H15ClN2O4/c1-11(12-2-4-13(17)5-3-12)18-16(20)10-23-15-8-6-14(7-9-15)19(21)22/h2-9,11H,10H2,1H3,(H,18,20)
InChIKey
FIOKOSHFWPOUGX-UHFFFAOYSA-N
Compound name
N-[1-(4-chlorophenyl)ethyl]-2-(4-nitrophenoxy)acetamide
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

83
Patents

334.07202 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 335.07930 173.1
[M+Na]+ 357.06124 186.8
[M+NH4]+ 352.10584 180.3
[M+K]+ 373.03518 182.6
[M-H]- 333.06474 178.3
[M+Na-2H]- 355.04669 180.7
[M]+ 334.07147 176.6
[M]- 334.07257 176.6
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