CID 21911739

2-chloro-n-[(3-fluorophenyl)methyl]acetamide

Structural Information

Molecular Formula
C9H9ClFNO
SMILES
C1=CC(=CC(=C1)F)CNC(=O)CCl
InChI
InChI=1S/C9H9ClFNO/c10-5-9(13)12-6-7-2-1-3-8(11)4-7/h1-4H,5-6H2,(H,12,13)
InChIKey
ZDJJDJFJYVGNJY-UHFFFAOYSA-N
Compound name
2-chloro-N-[(3-fluorophenyl)methyl]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

34
Patents

201.03568 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 202.042956 138.8
[M+Na]+ 224.024898 147.2
[M-H]- 200.028404 141.1
[M+NH4]+ 219.069503 158.6
[M+K]+ 239.998838 143.1
[M+H-H2O]+ 184.032940 132.9
[M+HCOO]- 246.033881 158.2
[M+CH3COO]- 260.049531 185.1
[M+Na-2H]- 222.010346 144.3
[M]+ 201.03513142 139.3
[M]- 201.03622858 139.3
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