CID 20448

Mucochloric anhydride

Structural Information

Molecular Formula
C8H2Cl4O5
SMILES
C1(C(=C(C(=O)O1)Cl)Cl)OC2C(=C(C(=O)O2)Cl)Cl
InChI
InChI=1S/C8H2Cl4O5/c9-1-3(11)7(15-5(1)13)17-8-4(12)2(10)6(14)16-8/h7-8H
InChIKey
PESQEUXEQYJQCC-UHFFFAOYSA-N
Compound name
3,4-dichloro-2-[(3,4-dichloro-5-oxo-2H-furan-2-yl)oxy]-2H-furan-5-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1626
Patents

317.86563 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 318.87291 157.2
[M+Na]+ 340.85485 169.9
[M+NH4]+ 335.89945 163.9
[M+K]+ 356.82879 167.7
[M-H]- 316.85835 159.6
[M+Na-2H]- 338.84030 159.8
[M]+ 317.86508 160.6
[M]- 317.86618 160.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

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