CID 2526840

N-{[4-(2-chloroacetyl)phenyl]methyl}acetamide

Structural Information

Molecular Formula
C11H12ClNO2
SMILES
CC(=O)NCC1=CC=C(C=C1)C(=O)CCl
InChI
InChI=1S/C11H12ClNO2/c1-8(14)13-7-9-2-4-10(5-3-9)11(15)6-12/h2-5H,6-7H2,1H3,(H,13,14)
InChIKey
RDOCZJFXANZQGR-UHFFFAOYSA-N
Compound name
N-[[4-(2-chloroacetyl)phenyl]methyl]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

0
Patents

225.05565 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 226.062926 147.7
[M+Na]+ 248.044868 155.2
[M-H]- 224.048374 151.3
[M+NH4]+ 243.089473 166.5
[M+K]+ 264.018808 151.5
[M+H-H2O]+ 208.052910 142.4
[M+HCOO]- 270.053851 167.0
[M+CH3COO]- 284.069501 190.5
[M+Na-2H]- 246.030316 151.5
[M]+ 225.05510142 150.2
[M]- 225.05619858 150.2
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