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 175.0
[M+Na]+ 357.06124 179.9
[M-H]- 333.06474 181.1
[M+NH4]+ 352.10584 187.8
[M+K]+ 373.03518 172.0
[M+H-H2O]+ 317.06928 172.1
[M+HCOO]- 379.07022 194.7
[M+CH3COO]- 393.08587 204.3
[M+Na-2H]- 355.04669 179.0
[M]+ 334.07147 176.7
[M]- 334.07257 176.7
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