CID 9570113

Benzoyl bromide, 2,4-dibromophenylhydrazone

Structural Information

Molecular Formula
C13H9Br3N2
SMILES
C1=CC=C(C=C1)/C(=N/NC2=C(C=C(C=C2)Br)Br)/Br
InChI
InChI=1S/C13H9Br3N2/c14-10-6-7-12(11(15)8-10)17-18-13(16)9-4-2-1-3-5-9/h1-8,17H/b18-13-
InChIKey
LCAVXBLQYLZLDG-AQTBWJFISA-N
Compound name
(Z)-N-(2,4-dibromophenyl)benzenecarbohydrazonoyl bromide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

429.8316 Da
Monoisotopic Mass

6.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 430.838876 158.3
[M+Na]+ 452.820818 164.2
[M-H]- 428.824324 165.5
[M+NH4]+ 447.865423 171.0
[M+K]+ 468.794758 148.6
[M+H-H2O]+ 412.828860 171.2
[M+HCOO]- 474.829801 169.7
[M+CH3COO]- 488.845451 230.4
[M+Na-2H]- 450.806266 162.8
[M]+ 429.83105142 197.9
[M]- 429.83214858 197.9
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.