CID 8598

132-80-9

Structural Information

Molecular Formula
C8H4Cl2O7
SMILES
C(C(=O)OC1=C(C(=O)OC1=O)OC(=O)CCl)Cl
InChI
InChI=1S/C8H4Cl2O7/c9-1-3(11)15-5-6(16-4(12)2-10)8(14)17-7(5)13/h1-2H2
InChIKey
AEOJCHZMBGOYCY-UHFFFAOYSA-N
Compound name
[4-(2-chloroacetyl)oxy-2,5-dioxofuran-3-yl] 2-chloroacetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

281.9334 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 282.94068 147.3
[M+Na]+ 304.92262 158.0
[M-H]- 280.92612 152.1
[M+NH4]+ 299.96722 165.2
[M+K]+ 320.89656 156.4
[M+H-H2O]+ 264.93066 144.5
[M+HCOO]- 326.93160 161.4
[M+CH3COO]- 340.94725 192.4
[M+Na-2H]- 302.90807 149.2
[M]+ 281.93285 156.7
[M]- 281.93395 156.7
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.