CID 353833

Nsc603085

Structural Information

Molecular Formula
C12H6Cl4O6
SMILES
C(C#CCOC1C(=C(C(=O)O1)Cl)Cl)OC2C(=C(C(=O)O2)Cl)Cl
InChI
InChI=1S/C12H6Cl4O6/c13-5-7(15)11(21-9(5)17)19-3-1-2-4-20-12-8(16)6(14)10(18)22-12/h11-12H,3-4H2
InChIKey
RVNZYECYGFHVQA-UHFFFAOYSA-N
Compound name
3,4-dichloro-2-[4-[(3,4-dichloro-5-oxo-2H-furan-2-yl)oxy]but-2-ynoxy]-2H-furan-5-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

385.89185 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 386.89913 175.0
[M+Na]+ 408.88107 188.9
[M-H]- 384.88457 178.7
[M+NH4]+ 403.92567 187.8
[M+K]+ 424.85501 183.0
[M+H-H2O]+ 368.88911 166.9
[M+HCOO]- 430.89005 174.2
[M+CH3COO]- 444.90570 215.6
[M+Na-2H]- 406.86652 172.2
[M]+ 385.89130 177.5
[M]- 385.89240 177.5
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.