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 169.6
[M+Na]+ 419.89538 176.7
[M-H]- 395.89888 178.8
[M+NH4]+ 414.93998 183.9
[M+K]+ 435.86932 157.6
[M+H-H2O]+ 379.90342 177.1
[M+HCOO]- 441.90436 188.2
[M+CH3COO]- 455.92001 217.1
[M+Na-2H]- 417.88083 176.2
[M]+ 396.90561 201.9
[M]- 396.90671 201.9
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.