CID 135504490

1839524-44-5

Structural Information

Molecular Formula
C15H12FIN2O3
SMILES
COC1=C(C(=CC(=C1)/C=N/NC(=O)C2=CC(=CC=C2)F)I)O
InChI
InChI=1S/C15H12FIN2O3/c1-22-13-6-9(5-12(17)14(13)20)8-18-19-15(21)10-3-2-4-11(16)7-10/h2-8,20H,1H3,(H,19,21)/b18-8+
InChIKey
UIADDCURKKFTFW-QGMBQPNBSA-N
Compound name
3-fluoro-N-[(E)-(4-hydroxy-3-iodo-5-methoxyphenyl)methylideneamino]benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

7
References

1
Patents

413.98767 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 414.99495 182.3
[M+Na]+ 436.97689 182.9
[M-H]- 412.98039 180.9
[M+NH4]+ 432.02149 191.8
[M+K]+ 452.95083 185.1
[M+H-H2O]+ 396.98493 169.3
[M+HCOO]- 458.98587 201.4
[M+CH3COO]- 473.00152 216.3
[M+Na-2H]- 434.96234 172.9
[M]+ 413.98712 179.9
[M]- 413.98822 179.9
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

No patent data available for this compound.