CID 5428429

Aronis021641

Structural Information

Molecular Formula
C12H9IN2O2
SMILES
C1=CC=C(C(=C1)C(=O)N/N=C\C2=CC=CO2)I
InChI
InChI=1S/C12H9IN2O2/c13-11-6-2-1-5-10(11)12(16)15-14-8-9-4-3-7-17-9/h1-8H,(H,15,16)/b14-8-
InChIKey
KBTHKHIRKQZIAD-ZSOIEALJSA-N
Compound name
N-[(Z)-furan-2-ylmethylideneamino]-2-iodobenzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

339.9709 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 340.97818 167.5
[M+Na]+ 362.96012 171.2
[M+NH4]+ 358.00472 170.7
[M+K]+ 378.93406 169.5
[M-H]- 338.96362 166.5
[M+Na-2H]- 360.94557 161.7
[M]+ 339.97035 166.5
[M]- 339.97145 166.5
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.