CID 16770646

N-(5-amino-2-fluorophenyl)-2-iodobenzamide

Structural Information

Molecular Formula
C13H10FIN2O
SMILES
C1=CC=C(C(=C1)C(=O)NC2=C(C=CC(=C2)N)F)I
InChI
InChI=1S/C13H10FIN2O/c14-10-6-5-8(16)7-12(10)17-13(18)9-3-1-2-4-11(9)15/h1-7H,16H2,(H,17,18)
InChIKey
XRPJTHUURBOLMO-UHFFFAOYSA-N
Compound name
N-(5-amino-2-fluorophenyl)-2-iodobenzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

355.98218 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 356.989456 167.7
[M+Na]+ 378.971398 168.3
[M-H]- 354.974904 165.8
[M+NH4]+ 374.016003 179.2
[M+K]+ 394.945338 169.9
[M+H-H2O]+ 338.979440 155.5
[M+HCOO]- 400.980381 186.4
[M+CH3COO]- 414.996031 206.2
[M+Na-2H]- 376.956846 159.0
[M]+ 355.98163142 161.5
[M]- 355.98272858 161.5
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.