CID 16793933

3-amino-n-(3-fluorophenyl)benzamide

Structural Information

Molecular Formula
C13H11FN2O
SMILES
C1=CC(=CC(=C1)N)C(=O)NC2=CC(=CC=C2)F
InChI
InChI=1S/C13H11FN2O/c14-10-4-2-6-12(8-10)16-13(17)9-3-1-5-11(15)7-9/h1-8H,15H2,(H,16,17)
InChIKey
NTRUKPPSBDQENE-UHFFFAOYSA-N
Compound name
3-amino-N-(3-fluorophenyl)benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

43
Patents

230.08554 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 231.09282 148.9
[M+Na]+ 253.07476 156.3
[M-H]- 229.07826 154.3
[M+NH4]+ 248.11936 165.9
[M+K]+ 269.04870 152.1
[M+H-H2O]+ 213.08280 140.5
[M+HCOO]- 275.08374 173.5
[M+CH3COO]- 289.09939 194.6
[M+Na-2H]- 251.06021 154.0
[M]+ 230.08499 145.0
[M]- 230.08609 145.0
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