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

2
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

patents stripe