CID 643286

2-(4-chlorophenyl)acetamide

Structural Information

Molecular Formula
C8H8ClNO
SMILES
C1=CC(=CC=C1CC(=O)N)Cl
InChI
InChI=1S/C8H8ClNO/c9-7-3-1-6(2-4-7)5-8(10)11/h1-4H,5H2,(H2,10,11)
InChIKey
BFYGROHYLCZLGS-UHFFFAOYSA-N
Compound name
2-(4-chlorophenyl)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

4
References

913
Patents

169.02943 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 170.036706 132.3
[M+Na]+ 192.018648 141.0
[M-H]- 168.022154 135.7
[M+NH4]+ 187.063253 153.2
[M+K]+ 207.992588 137.3
[M+H-H2O]+ 152.026690 127.7
[M+HCOO]- 214.027631 152.5
[M+CH3COO]- 228.043281 179.4
[M+Na-2H]- 190.004096 137.8
[M]+ 169.02888142 132.5
[M]- 169.02997858 132.5
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