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 158.4
[M+Na]+ 314.97396 168.5
[M-H]- 290.97746 169.4
[M+NH4]+ 310.01856 177.6
[M+K]+ 330.94790 158.5
[M+H-H2O]+ 274.98200 156.4
[M+HCOO]- 336.98294 183.7
[M+CH3COO]- 350.99859 200.6
[M+Na-2H]- 312.95941 165.6
[M]+ 291.98419 178.0
[M]- 291.98529 178.0
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