CID 3044349

Brn 2985590

Structural Information

Molecular Formula
C15H14ClNO2
SMILES
C1=CC(=CC=C1CC2=CC=C(C=C2)Cl)OCC(=O)N
InChI
InChI=1S/C15H14ClNO2/c16-13-5-1-11(2-6-13)9-12-3-7-14(8-4-12)19-10-15(17)18/h1-8H,9-10H2,(H2,17,18)
InChIKey
MYKKZITYSAJNLM-UHFFFAOYSA-N
Compound name
2-[4-[(4-chlorophenyl)methyl]phenoxy]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

275.07132 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 276.07860 161.1
[M+Na]+ 298.06054 169.0
[M-H]- 274.06404 167.3
[M+NH4]+ 293.10514 177.5
[M+K]+ 314.03448 163.6
[M+H-H2O]+ 258.06858 154.2
[M+HCOO]- 320.06952 180.6
[M+CH3COO]- 334.08517 199.4
[M+Na-2H]- 296.04599 164.8
[M]+ 275.07077 163.4
[M]- 275.07187 163.4
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