CID 5284489

126572-80-3

Structural Information

Molecular Formula
C5H3Cl3O4
SMILES
C(/C(=C(\C(=O)O)/Cl)/C(=O)O)(Cl)Cl
InChI
InChI=1S/C5H3Cl3O4/c6-2(5(11)12)1(3(7)8)4(9)10/h3H,(H,9,10)(H,11,12)/b2-1-
InChIKey
CNMCESFYDAVNPQ-UPHRSURJSA-N
Compound name
(E)-2-chloro-3-(dichloromethyl)but-2-enedioic acid
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

0
Patents

231.9097 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 232.91698 139.9
[M+Na]+ 254.89892 148.7
[M+NH4]+ 249.94352 145.2
[M+K]+ 270.87286 146.4
[M-H]- 230.90242 135.4
[M+Na-2H]- 252.88437 140.5
[M]+ 231.90915 140.1
[M]- 231.91025 140.1
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.