CID 9570080

Benzoyl bromide 4-nitrophenylhydrazone

Structural Information

Molecular Formula
C13H10BrN3O2
SMILES
C1=CC=C(C=C1)/C(=N/NC2=CC=C(C=C2)[N+](=O)[O-])/Br
InChI
InChI=1S/C13H10BrN3O2/c14-13(10-4-2-1-3-5-10)16-15-11-6-8-12(9-7-11)17(18)19/h1-9,15H/b16-13-
InChIKey
BNXSRUVQYMMQEZ-SSZFMOIBSA-N
Compound name
(Z)-N-(4-nitrophenyl)benzenecarbohydrazonoyl bromide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

318.99564 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 320.00292 162.5
[M+Na]+ 341.98486 170.0
[M-H]- 317.98836 172.2
[M+NH4]+ 337.02946 178.9
[M+K]+ 357.95880 154.7
[M+H-H2O]+ 301.99290 163.5
[M+HCOO]- 363.99384 187.7
[M+CH3COO]- 378.00949 202.2
[M+Na-2H]- 339.97031 171.5
[M]+ 318.99509 178.5
[M]- 318.99619 178.5
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.