CID 162345106

Ns00133736

Structural Information

Molecular Formula
C5H3Br3O4
SMILES
C(/C(=C(/C(=O)O)\Br)/Br)(C(=O)O)Br
InChI
InChI=1S/C5H3Br3O4/c6-1(2(7)4(9)10)3(8)5(11)12/h2H,(H,9,10)(H,11,12)/b3-1+
InChIKey
DSNWQIXVHGHNBK-HNQUOIGGSA-N
Compound name
(E)-2,3,4-tribromopent-2-enedioic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

363.75815 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 364.765426 145.5
[M+Na]+ 386.747368 151.6
[M-H]- 362.750874 147.2
[M+NH4]+ 381.791973 158.5
[M+K]+ 402.721308 135.6
[M+H-H2O]+ 346.755410 158.8
[M+HCOO]- 408.756351 151.7
[M+CH3COO]- 422.772001 217.4
[M+Na-2H]- 384.732816 146.8
[M]+ 363.75760142 183.6
[M]- 363.75869858 183.6
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.