CID 532008

N-(3-chlorophenyl)-3-fluorobenzamide

Structural Information

Molecular Formula
C13H9ClFNO
SMILES
C1=CC(=CC(=C1)F)C(=O)NC2=CC(=CC=C2)Cl
InChI
InChI=1S/C13H9ClFNO/c14-10-4-2-6-12(8-10)16-13(17)9-3-1-5-11(15)7-9/h1-8H,(H,16,17)
InChIKey
OYJHAOCCKZFZBK-UHFFFAOYSA-N
Compound name
N-(3-chlorophenyl)-3-fluorobenzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

249.03568 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 250.04296 150.8
[M+Na]+ 272.02490 159.8
[M-H]- 248.02840 156.4
[M+NH4]+ 267.06950 168.6
[M+K]+ 287.99884 154.2
[M+H-H2O]+ 232.03294 143.5
[M+HCOO]- 294.03388 170.4
[M+CH3COO]- 308.04953 193.9
[M+Na-2H]- 270.01035 156.0
[M]+ 249.03513 150.9
[M]- 249.03623 150.9
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

No patent data available for this compound.