CID 6436549

24138-34-9

Structural Information

Molecular Formula
C16H6Br6O4
SMILES
C1=C(C=C(C(=C1Br)OC(=O)/C=C/C(=O)OC2=C(C=C(C=C2Br)Br)Br)Br)Br
InChI
InChI=1S/C16H6Br6O4/c17-7-3-9(19)15(10(20)4-7)25-13(23)1-2-14(24)26-16-11(21)5-8(18)6-12(16)22/h1-6H/b2-1+
InChIKey
YLJNTEPTKSJUFE-OWOJBTEDSA-N
Compound name
bis(2,4,6-tribromophenyl) (E)-but-2-enedioate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

735.5366 Da
Monoisotopic Mass

7.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 736.54388 186.3
[M+Na]+ 758.52582 195.1
[M-H]- 734.52932 190.1
[M+NH4]+ 753.57042 191.4
[M+K]+ 774.49976 184.9
[M+H-H2O]+ 718.53386 199.9
[M+HCOO]- 780.53480 188.5
[M+CH3COO]- 794.55045 252.6
[M+Na-2H]- 756.51127 183.7
[M]+ 735.53605 207.3
[M]- 735.53715 207.3
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.