CID 9576752

N-(2-bromo-4-nitrophenyl)benzenecarbohydrazonoyl bromide

Structural Information

Molecular Formula
C13H9Br2N3O2
SMILES
C1=CC=C(C=C1)/C(=N\NC2=C(C=C(C=C2)[N+](=O)[O-])Br)/Br
InChI
InChI=1S/C13H9Br2N3O2/c14-11-8-10(18(19)20)6-7-12(11)16-17-13(15)9-4-2-1-3-5-9/h1-8,16H/b17-13+
InChIKey
GUHHNXOAIXKNPM-GHRIWEEISA-N
Compound name
(E)-N-(2-bromo-4-nitrophenyl)benzenecarbohydrazonoyl bromide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

396.90616 Da
Monoisotopic Mass

5.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 397.91344 173.9
[M+Na]+ 419.89538 169.0
[M+NH4]+ 414.93998 175.5
[M+K]+ 435.86932 175.7
[M-H]- 395.89888 177.1
[M+Na-2H]- 417.88083 175.8
[M]+ 396.90561 173.0
[M]- 396.90671 173.0
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

No patent data available for this compound.