CID 9643187

3-bromo-n'-(3-nitrobenzylidene)benzohydrazide

Structural Information

Molecular Formula
C14H10BrN3O3
SMILES
C1=CC(=CC(=C1)[N+](=O)[O-])/C=N/NC(=O)C2=CC(=CC=C2)Br
InChI
InChI=1S/C14H10BrN3O3/c15-12-5-2-4-11(8-12)14(19)17-16-9-10-3-1-6-13(7-10)18(20)21/h1-9H,(H,17,19)/b16-9+
InChIKey
OLBRTZVQFQYMFN-CXUHLZMHSA-N
Compound name
3-bromo-N-[(E)-(3-nitrophenyl)methylideneamino]benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

0
Patents

346.99054 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 347.99782 168.8
[M+Na]+ 369.97976 176.8
[M-H]- 345.98326 178.6
[M+NH4]+ 365.02436 184.2
[M+K]+ 385.95370 161.3
[M+H-H2O]+ 329.98780 169.4
[M+HCOO]- 391.98874 193.9
[M+CH3COO]- 406.00439 206.4
[M+Na-2H]- 367.96521 176.8
[M]+ 346.98999 185.9
[M]- 346.99109 185.9
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.