CID 675583

Mcpan

Structural Information

Molecular Formula
C15H14ClNO2
SMILES
CC1=C(C=CC(=C1)Cl)OCC(=O)NC2=CC=CC=C2
InChI
InChI=1S/C15H14ClNO2/c1-11-9-12(16)7-8-14(11)19-10-15(18)17-13-5-3-2-4-6-13/h2-9H,10H2,1H3,(H,17,18)
InChIKey
FDDJKDJSDPCMJE-UHFFFAOYSA-N
Compound name
2-(4-chloro-2-methylphenoxy)-N-phenylacetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

22
Patents

275.07132 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 276.07860 160.7
[M+Na]+ 298.06054 168.7
[M-H]- 274.06404 167.5
[M+NH4]+ 293.10514 177.4
[M+K]+ 314.03448 163.7
[M+H-H2O]+ 258.06858 153.8
[M+HCOO]- 320.06952 180.9
[M+CH3COO]- 334.08517 199.3
[M+Na-2H]- 296.04599 165.4
[M]+ 275.07077 163.9
[M]- 275.07187 163.9
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