CID 132567697

Ns00133706

Structural Information

Molecular Formula
C5H4Br2O4
SMILES
C(=C(\C(Br)Br)/C(=O)O)\C(=O)O
InChI
InChI=1S/C5H4Br2O4/c6-4(7)2(5(10)11)1-3(8)9/h1,4H,(H,8,9)(H,10,11)/b2-1+
InChIKey
VYMRXIHKCZVUIM-OWOJBTEDSA-N
Compound name
(Z)-2-(dibromomethyl)but-2-enedioic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

285.84763 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 286.854906 138.9
[M+Na]+ 308.836848 147.9
[M-H]- 284.840354 140.6
[M+NH4]+ 303.881453 156.5
[M+K]+ 324.810788 132.3
[M+H-H2O]+ 268.844890 146.2
[M+HCOO]- 330.845831 150.5
[M+CH3COO]- 344.861481 196.8
[M+Na-2H]- 306.822296 141.9
[M]+ 285.84708142 170.4
[M]- 285.84817858 170.4
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.