CID 42920717

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

Structural Information

Molecular Formula
C9H9ClFNO
SMILES
CC(C(=O)NC1=CC(=CC=C1)F)Cl
InChI
InChI=1S/C9H9ClFNO/c1-6(10)9(13)12-8-4-2-3-7(11)5-8/h2-6H,1H3,(H,12,13)
InChIKey
VJXUKJYCXBVIJL-UHFFFAOYSA-N
Compound name
2-chloro-N-(3-fluorophenyl)propanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

201.03568 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 202.04296 138.8
[M+Na]+ 224.02490 147.0
[M-H]- 200.02840 141.3
[M+NH4]+ 219.06950 158.6
[M+K]+ 239.99884 143.4
[M+H-H2O]+ 184.03294 133.1
[M+HCOO]- 246.03388 157.3
[M+CH3COO]- 260.04953 186.0
[M+Na-2H]- 222.01035 143.1
[M]+ 201.03513 138.7
[M]- 201.03623 138.7
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