CID 9776838

2-chloromaleylacetate

Structural Information

Molecular Formula
C6H5ClO5
SMILES
C(C(=O)/C=C(\C(=O)O)/Cl)C(=O)O
InChI
InChI=1S/C6H5ClO5/c7-4(6(11)12)1-3(8)2-5(9)10/h1H,2H2,(H,9,10)(H,11,12)/b4-1+
InChIKey
QOHGUQUQCPIROQ-DAFODLJHSA-N
Compound name
(E)-2-chloro-4-oxohex-2-enedioic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

8
References

0
Patents

191.98254 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 192.98982 135.2
[M+Na]+ 214.97176 142.9
[M+NH4]+ 210.01636 139.7
[M+K]+ 230.94570 141.5
[M-H]- 190.97526 130.3
[M+Na-2H]- 212.95721 135.1
[M]+ 191.98199 134.5
[M]- 191.98309 134.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.