CID 9580145

93418-03-2

Structural Information

Molecular Formula
C12H9BrN2O2
SMILES
C1=CC(=CC(=C1)Br)C(=O)N/N=C/C2=CC=CO2
InChI
InChI=1S/C12H9BrN2O2/c13-10-4-1-3-9(7-10)12(16)15-14-8-11-5-2-6-17-11/h1-8H,(H,15,16)/b14-8+
InChIKey
DMFLZTOCPPEFDB-RIYZIHGNSA-N
Compound name
3-bromo-N-[(E)-furan-2-ylmethylideneamino]benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

291.98474 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 292.99202 159.7
[M+Na]+ 314.97396 162.0
[M+NH4]+ 310.01856 163.9
[M+K]+ 330.94790 163.2
[M-H]- 290.97746 163.3
[M+Na-2H]- 312.95941 163.7
[M]+ 291.98419 159.7
[M]- 291.98529 159.7
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

patents stripe