CID 4256029

3-chloro-n-(2-fluorophenyl)propanamide

Structural Information

Molecular Formula
C9H9ClFNO
SMILES
C1=CC=C(C(=C1)NC(=O)CCCl)F
InChI
InChI=1S/C9H9ClFNO/c10-6-5-9(13)12-8-4-2-1-3-7(8)11/h1-4H,5-6H2,(H,12,13)
InChIKey
WGOCBWOFSIVDSP-UHFFFAOYSA-N
Compound name
3-chloro-N-(2-fluorophenyl)propanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

58
Patents

201.03568 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 202.04296 138.8
[M+Na]+ 224.02490 147.2
[M-H]- 200.02840 141.1
[M+NH4]+ 219.06950 158.6
[M+K]+ 239.99884 143.1
[M+H-H2O]+ 184.03294 132.9
[M+HCOO]- 246.03388 158.2
[M+CH3COO]- 260.04953 185.1
[M+Na-2H]- 222.01035 144.3
[M]+ 201.03513 139.3
[M]- 201.03623 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

No literature data available for this compound.

Patent stripe

patents stripe