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

32
Patents

201.03568 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 202.04296 138.4
[M+Na]+ 224.02490 150.4
[M+NH4]+ 219.06950 146.5
[M+K]+ 239.99884 143.5
[M-H]- 200.02840 139.5
[M+Na-2H]- 222.01035 145.1
[M]+ 201.03513 140.5
[M]- 201.03623 140.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe