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 156.8
[M+Na]+ 332.95394 166.7
[M-H]- 308.95744 161.3
[M+NH4]+ 327.99854 173.6
[M+K]+ 348.92788 164.7
[M+H-H2O]+ 292.96198 153.7
[M+HCOO]- 354.96292 170.3
[M+CH3COO]- 368.97857 198.2
[M+Na-2H]- 330.93939 157.7
[M]+ 309.96417 167.0
[M]- 309.96527 167.0
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.