CID 309582

2-(3-chlorophenoxy)-n-(3-nitrophenyl)acetamide

Structural Information

Molecular Formula
C14H11ClN2O4
SMILES
C1=CC(=CC(=C1)[N+](=O)[O-])NC(=O)COC2=CC(=CC=C2)Cl
InChI
InChI=1S/C14H11ClN2O4/c15-10-3-1-6-13(7-10)21-9-14(18)16-11-4-2-5-12(8-11)17(19)20/h1-8H,9H2,(H,16,18)
InChIKey
MAQRDBVPTLBTLI-UHFFFAOYSA-N
Compound name
2-(3-chlorophenoxy)-N-(3-nitrophenyl)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

306.04074 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 307.04802 166.0
[M+Na]+ 329.02996 172.1
[M-H]- 305.03346 172.4
[M+NH4]+ 324.07456 180.0
[M+K]+ 345.00390 164.0
[M+H-H2O]+ 289.03800 163.3
[M+HCOO]- 351.03894 187.3
[M+CH3COO]- 365.05459 197.5
[M+Na-2H]- 327.01541 172.2
[M]+ 306.04019 167.6
[M]- 306.04129 167.6
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

No patent data available for this compound.