CID 835140

N-benzyl-3-fluorobenzamide

Structural Information

Molecular Formula
C14H12FNO
SMILES
C1=CC=C(C=C1)CNC(=O)C2=CC(=CC=C2)F
InChI
InChI=1S/C14H12FNO/c15-13-8-4-7-12(9-13)14(17)16-10-11-5-2-1-3-6-11/h1-9H,10H2,(H,16,17)
InChIKey
LKIBJWJYXBXEEB-UHFFFAOYSA-N
Compound name
N-benzyl-3-fluorobenzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

229.09029 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 230.09757 149.2
[M+Na]+ 252.07951 156.0
[M-H]- 228.08301 154.5
[M+NH4]+ 247.12411 166.6
[M+K]+ 268.05345 152.0
[M+H-H2O]+ 212.08755 140.8
[M+HCOO]- 274.08849 173.0
[M+CH3COO]- 288.10414 192.1
[M+Na-2H]- 250.06496 155.1
[M]+ 229.08974 146.9
[M]- 229.09084 146.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.