CID 794748

N-(4-(benzyloxy)phenyl)-2-chloroacetamide

Structural Information

Molecular Formula
C15H14ClNO2
SMILES
C1=CC=C(C=C1)COC2=CC=C(C=C2)NC(=O)CCl
InChI
InChI=1S/C15H14ClNO2/c16-10-15(18)17-13-6-8-14(9-7-13)19-11-12-4-2-1-3-5-12/h1-9H,10-11H2,(H,17,18)
InChIKey
TUTQONMCEZLRPX-UHFFFAOYSA-N
Compound name
2-chloro-N-(4-phenylmethoxyphenyl)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

16
Patents

275.07132 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 276.07860 160.8
[M+Na]+ 298.06054 167.9
[M-H]- 274.06404 167.1
[M+NH4]+ 293.10514 177.2
[M+K]+ 314.03448 162.8
[M+H-H2O]+ 258.06858 153.6
[M+HCOO]- 320.06952 181.0
[M+CH3COO]- 334.08517 198.2
[M+Na-2H]- 296.04599 166.3
[M]+ 275.07077 163.6
[M]- 275.07187 163.6
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

patents stripe