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

patents stripe