CID 5743865

N-(2-chloro-6-nitrophenyl)-n-phenylacetamide

Structural Information

Molecular Formula
C14H11ClN2O3
SMILES
CC(=O)N(C1=CC=CC=C1)C2=C(C=CC=C2Cl)[N+](=O)[O-]
InChI
InChI=1S/C14H11ClN2O3/c1-10(18)16(11-6-3-2-4-7-11)14-12(15)8-5-9-13(14)17(19)20/h2-9H,1H3
InChIKey
DLXYWZMHUVVOFZ-UHFFFAOYSA-N
Compound name
N-(2-chloro-6-nitrophenyl)-N-phenylacetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

290.0458 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 291.053076 163.0
[M+Na]+ 313.035018 169.5
[M-H]- 289.038524 170.9
[M+NH4]+ 308.079623 178.4
[M+K]+ 329.008958 162.2
[M+H-H2O]+ 273.043060 160.5
[M+HCOO]- 335.044001 184.7
[M+CH3COO]- 349.059651 198.9
[M+Na-2H]- 311.020466 168.3
[M]+ 290.04525142 164.5
[M]- 290.04634858 164.5
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.