CID 9638424

765309-45-3

Structural Information

Molecular Formula
C21H13BrCl2N2O3
SMILES
C1=CC=C(C(=C1)C(=O)OC2=C(C=C(C=C2)Br)/C=N/NC(=O)C3=CC=C(C=C3)Cl)Cl
InChI
InChI=1S/C21H13BrCl2N2O3/c22-15-7-10-19(29-21(28)17-3-1-2-4-18(17)24)14(11-15)12-25-26-20(27)13-5-8-16(23)9-6-13/h1-12H,(H,26,27)/b25-12+
InChIKey
XMULQMUHGSRCLR-BRJLIKDPSA-N
Compound name
[4-bromo-2-[(E)-[(4-chlorobenzoyl)hydrazinylidene]methyl]phenyl] 2-chlorobenzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

489.94867 Da
Monoisotopic Mass

6.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 490.955946 200.0
[M+Na]+ 512.937888 210.9
[M-H]- 488.941394 212.2
[M+NH4]+ 507.982493 212.5
[M+K]+ 528.911828 196.5
[M+H-H2O]+ 472.945930 197.3
[M+HCOO]- 534.946871 213.9
[M+CH3COO]- 548.962521 233.6
[M+Na-2H]- 510.923336 202.7
[M]+ 489.94812142 223.4
[M]- 489.94921858 223.4
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.