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
2
Annotation Hits

0
References

1
Patents

733.5686 Da
Monoisotopic Mass

6.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 734.57588 191.6
[M+Na]+ 756.55782 200.0
[M-H]- 732.56132 195.1
[M+NH4]+ 751.60242 196.4
[M+K]+ 772.53176 189.2
[M+H-H2O]+ 716.56586 204.4
[M+HCOO]- 778.56680 193.6
[M+CH3COO]- 792.58245 253.0
[M+Na-2H]- 754.54327 188.3
[M]+ 733.56805 211.9
[M]- 733.56915 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