CID 6450496

2-butenediamide, n,n'-bis(2,4,6-tribromophenyl)-, (2e)-

Structural Information

Molecular Formula
C16H8Br6N2O2
SMILES
C1=C(C=C(C(=C1Br)NC(=O)/C=C/C(=O)NC2=C(C=C(C=C2Br)Br)Br)Br)Br
InChI
InChI=1S/C16H8Br6N2O2/c17-7-3-9(19)15(10(20)4-7)23-13(25)1-2-14(26)24-16-11(21)5-8(18)6-12(16)22/h1-6H,(H,23,25)(H,24,26)/b2-1+
InChIKey
IJUNKLAVMFKPCX-OWOJBTEDSA-N
Compound name
(E)-N,N'-bis(2,4,6-tribromophenyl)but-2-enediamide
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

5
Patents

733.5686 Da
Monoisotopic Mass

6.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 734.575876 191.6
[M+Na]+ 756.557818 200.0
[M-H]- 732.561324 195.1
[M+NH4]+ 751.602423 196.4
[M+K]+ 772.531758 189.2
[M+H-H2O]+ 716.565860 204.4
[M+HCOO]- 778.566801 193.6
[M+CH3COO]- 792.582451 253.0
[M+Na-2H]- 754.543266 188.3
[M]+ 733.56805142 211.9
[M]- 733.56914858 211.9
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

patents stripe