CID 28650463

3-{[(4-fluorophenyl)methyl]amino}benzamide

Structural Information

Molecular Formula
C14H13FN2O
SMILES
C1=CC(=CC(=C1)NCC2=CC=C(C=C2)F)C(=O)N
InChI
InChI=1S/C14H13FN2O/c15-12-6-4-10(5-7-12)9-17-13-3-1-2-11(8-13)14(16)18/h1-8,17H,9H2,(H2,16,18)
InChIKey
MUJUVCOIMMGFNB-UHFFFAOYSA-N
Compound name
3-[(4-fluorophenyl)methylamino]benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

244.1012 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 245.10848 154.7
[M+Na]+ 267.09042 166.7
[M+NH4]+ 262.13502 162.3
[M+K]+ 283.06436 159.6
[M-H]- 243.09392 158.6
[M+Na-2H]- 265.07587 163.0
[M]+ 244.10065 157.3
[M]- 244.10175 157.3
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

No patent data available for this compound.