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]+ 356.98946 167.7
[M+Na]+ 378.97140 168.3
[M-H]- 354.97490 165.8
[M+NH4]+ 374.01600 179.2
[M+K]+ 394.94534 169.9
[M+H-H2O]+ 338.97944 155.5
[M+HCOO]- 400.98038 186.4
[M+CH3COO]- 414.99603 206.2
[M+Na-2H]- 376.95685 159.0
[M]+ 355.98163 161.5
[M]- 355.98273 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.