CID 6481530

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

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

1
References

7
Patents

230.08554 Da
Monoisotopic Mass

3.0
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

literature stripe

Patent stripe

patents stripe