CID 22098

Dihydroxymaleic anhydride bis(3-chloropropionate)

Structural Information

Molecular Formula
C10H8Cl2O7
SMILES
C(CCl)C(=O)OC1=C(C(=O)OC1=O)OC(=O)CCCl
InChI
InChI=1S/C10H8Cl2O7/c11-3-1-5(13)17-7-8(10(16)19-9(7)15)18-6(14)2-4-12/h1-4H2
InChIKey
KFLZEDYUULKPIH-UHFFFAOYSA-N
Compound name
[4-(3-chloropropanoyloxy)-2,5-dioxofuran-3-yl] 3-chloropropanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

309.96472 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 310.97200 157.6
[M+Na]+ 332.95394 167.3
[M+NH4]+ 327.99854 162.1
[M+K]+ 348.92788 165.9
[M-H]- 308.95744 156.1
[M+Na-2H]- 330.93939 158.2
[M]+ 309.96417 158.6
[M]- 309.96527 158.6
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.