CID 723395

N-(4-chlorophenyl)-2-phenylacetamide

Structural Information

Molecular Formula
C14H12ClNO
SMILES
C1=CC=C(C=C1)CC(=O)NC2=CC=C(C=C2)Cl
InChI
InChI=1S/C14H12ClNO/c15-12-6-8-13(9-7-12)16-14(17)10-11-4-2-1-3-5-11/h1-9H,10H2,(H,16,17)
InChIKey
WYJLJXRDWVMLDM-UHFFFAOYSA-N
Compound name
N-(4-chlorophenyl)-2-phenylacetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

12
Patents

245.06075 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 246.068026 153.2
[M+Na]+ 268.049968 160.8
[M-H]- 244.053474 159.7
[M+NH4]+ 263.094573 170.9
[M+K]+ 284.023908 155.3
[M+H-H2O]+ 228.058010 146.5
[M+HCOO]- 290.058951 173.5
[M+CH3COO]- 304.074601 193.1
[M+Na-2H]- 266.035416 159.2
[M]+ 245.06020142 154.3
[M]- 245.06129858 154.3
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