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
2
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]+ 736.543876 186.3
[M+Na]+ 758.525818 195.1
[M-H]- 734.529324 190.1
[M+NH4]+ 753.570423 191.4
[M+K]+ 774.499758 184.9
[M+H-H2O]+ 718.533860 199.9
[M+HCOO]- 780.534801 188.5
[M+CH3COO]- 794.550451 252.6
[M+Na-2H]- 756.511266 183.7
[M]+ 735.53605142 207.3
[M]- 735.53714858 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.