CID 3075425

180537-75-1

Structural Information

Molecular Formula
C15H10Br2N2O3
SMILES
C1=CC(=CC=C1C(=O)CC(=O)C(=O)NC2=NC=C(C=C2)Br)Br
InChI
InChI=1S/C15H10Br2N2O3/c16-10-3-1-9(2-4-10)12(20)7-13(21)15(22)19-14-6-5-11(17)8-18-14/h1-6,8H,7H2,(H,18,19,22)
InChIKey
REMLXJYZFYPQGT-UHFFFAOYSA-N
Compound name
4-(4-bromophenyl)-N-(5-bromopyridin-2-yl)-2,4-dioxobutanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

423.90582 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 424.91310 166.2
[M+Na]+ 446.89504 174.1
[M-H]- 422.89854 173.7
[M+NH4]+ 441.93964 179.2
[M+K]+ 462.86898 158.7
[M+H-H2O]+ 406.90308 171.9
[M+HCOO]- 468.90402 180.4
[M+CH3COO]- 482.91967 221.8
[M+Na-2H]- 444.88049 170.2
[M]+ 423.90527 200.1
[M]- 423.90637 200.1
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.