CID 736969

2-chloro-n-(4-phenoxyphenyl)acetamide

Structural Information

Molecular Formula
C14H12ClNO2
SMILES
C1=CC=C(C=C1)OC2=CC=C(C=C2)NC(=O)CCl
InChI
InChI=1S/C14H12ClNO2/c15-10-14(17)16-11-6-8-13(9-7-11)18-12-4-2-1-3-5-12/h1-9H,10H2,(H,16,17)
InChIKey
PHUZNDQAFGNCRQ-UHFFFAOYSA-N
Compound name
2-chloro-N-(4-phenoxyphenyl)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

58
Patents

261.05566 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 262.06294 156.2
[M+Na]+ 284.04488 163.7
[M-H]- 260.04838 162.7
[M+NH4]+ 279.08948 173.1
[M+K]+ 300.01882 158.8
[M+H-H2O]+ 244.05292 149.2
[M+HCOO]- 306.05386 176.7
[M+CH3COO]- 320.06951 195.2
[M+Na-2H]- 282.03033 162.2
[M]+ 261.05511 158.6
[M]- 261.05621 158.6
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