CID 11485

2-chloro-n-phenylacetamide

Structural Information

Molecular Formula
C8H8ClNO
SMILES
C1=CC=C(C=C1)NC(=O)CCl
InChI
InChI=1S/C8H8ClNO/c9-6-8(11)10-7-4-2-1-3-5-7/h1-5H,6H2,(H,10,11)
InChIKey
VONWPEXRCLHKRJ-UHFFFAOYSA-N
Compound name
2-chloro-N-phenylacetamide
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

108
References

11246
Patents

169.02943 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 170.036706 132.3
[M+Na]+ 192.018648 140.2
[M-H]- 168.022154 135.9
[M+NH4]+ 187.063253 153.3
[M+K]+ 207.992588 136.8
[M+H-H2O]+ 152.026690 127.5
[M+HCOO]- 214.027631 153.2
[M+CH3COO]- 228.043281 178.2
[M+Na-2H]- 190.004096 139.7
[M]+ 169.02888142 133.2
[M]- 169.02997858 133.2
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