CID 9657612

357267-15-3

Structural Information

Molecular Formula
C15H10BrCl2N3O2
SMILES
C1=CC(=CC(=C1)Br)/C=N/NC(=O)C(=O)NC2=CC(=C(C=C2)Cl)Cl
InChI
InChI=1S/C15H10BrCl2N3O2/c16-10-3-1-2-9(6-10)8-19-21-15(23)14(22)20-11-4-5-12(17)13(18)7-11/h1-8H,(H,20,22)(H,21,23)/b19-8+
InChIKey
JTGZSIHRLBJPQG-UFWORHAWSA-N
Compound name
N'-[(E)-(3-bromophenyl)methylideneamino]-N-(3,4-dichlorophenyl)oxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

412.93335 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 413.94063 180.5
[M+Na]+ 435.92257 191.5
[M-H]- 411.92607 190.0
[M+NH4]+ 430.96717 195.9
[M+K]+ 451.89651 176.6
[M+H-H2O]+ 395.93061 178.7
[M+HCOO]- 457.93155 195.8
[M+CH3COO]- 471.94720 222.1
[M+Na-2H]- 433.90802 184.6
[M]+ 412.93280 201.6
[M]- 412.93390 201.6
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.